SCHEMBL1105630

SCHEMBL1105630

CC1=Nc2ncccc2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ALDH1A1 P00352 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19142282 0.82 CYP11B1 (0.36) NOS3NOS1NOS2NPC1HSP90AA1
SCHEMBL4183808 0.75 LMNA (0.30)
SCHEMBL14339844 0.75 CHRM2 (0.31)
SCHEMBL9694568 0.73 GAA (0.38) NPC1PDCD1CD274ALDH1A1
SCHEMBL18996011 0.71
SCHEMBL47849 0.67 NOS3 (0.43) NOS3NOS1NOS2NPC1ALDH1A1
SCHEMBL134931 0.67 CYP1A2 (0.34) NPC1HSP90AA1L3MBTL1
SCHEMBL4340785 0.67 TSHR (0.32) NOS3NOS1NOS2
SCHEMBL28857380 0.67 HRH1 (0.34) NOS3NOS1NOS2
SCHEMBL18996006 0.67 GABRG2 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357239-A1 PYRIDO[2,3-D]PYRIMIDIN-4-AMINES AS SOS1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-06-22 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20180093958-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC PRODUCT ZEON CORPORATION (JP) 2018-04-05 US disclosed
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2018-03-22 US disclosed
US-9868710-B2 Polymerizable compound, polymerizable composition, polymer, and optically anisotropic product ZEON CORPORATION (JP) 2018-01-16 US disclosed
US-20170174678-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME Rhe Trustees of The University of Pennsylvania 2017-06-22 US disclosed
EP-2912464-B1 HYDROXAMATE SUBSTITUTED AZAINDOLINE-CYANINE DYES AND BIOCONJUGATES OF THE SAME BECTON DICKINSON CO (US) 2017-04-26 EP disclosed
US-9580409-B2 Modulators of opioid receptors and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20160257659-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC PRODUCT ZEON CORPORATION (JP) 2016-09-08 US disclosed
US-20120040430-A1 Compositions useful for detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2012-02-16 US disclosed
US-20110183962-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2011-07-28 US disclosed
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20100228008-A1 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-09-09 US disclosed
US-20100093004-A1 Autophagy and phospholipidosis pathway assays ENZO LIFE SCIENCES, INC. 2010-04-15 US disclosed
US-20100041663-A1 Organic Compounds as Smo Inhibitors NOVARTIS AG 2010-02-18 US disclosed
US-20100041020-A1 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-02-18 US disclosed
US-20090226954-A1 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits ENZO LIFE SCIENCES, INC. 2009-09-10 US disclosed
US-7569695-B2 Cyanine dyes substituted by electrophilic groups and/or nucleophilic groups including merocyanine, methine, oxazoline, oxonol, selenazole fluorescent, imidazoline, quinoline, indole, reactive and cationic dyes; labeling reagents for proteins and nucleic acids; genetic probes; amplification; hybridization ENZO LIFE SCIENCES, INC. (US) 2009-08-04 US disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110183962-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO NOS3 2674/4885NOS1 3470/4885NOS2 2918/4885
US-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A NOS3 2077/4885NOS1 1438/4885NOS2 1258/4885
US-20160257659-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC PRODUCT CCNA1, PYM1, SCO2 NOS3 1696/4885NOS1 976/4885NOS2 1576/4885
US-20090226954-A1 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits SSBP1, IMMT, DNAJA3 NOS3 3772/4885NOS1 4056/4885NOS2 4122/4885
US-20170174678-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, ZC3HAV1L NOS3 3590/4885NOS1 3979/4885NOS2 3924/4885
US-20230357239-A1 PYRIDO[2,3-D]PYRIMIDIN-4-AMINES AS SOS1 INHIBITORS SOS1, PPM1D, SOS2 NOS3 1820/4885NOS1 445/4885NOS2 1649/4885
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 NOS3 2338/4885NOS1 2118/4885NOS2 3134/4885
US-20100041663-A1 Organic Compounds as Smo Inhibitors SMO, GLI1, SHH NOS3 340/4885NOS1 214/4885NOS2 293/4885
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS GCK, PDXK, GCKR NOS3 1285/4885NOS1 2326/4885NOS2 1545/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 NOS3 1959/4885NOS1 2407/4885NOS2 1974/4885
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF INMT, AZI2, MYADM NOS3 642/4885NOS1 655/4885NOS2 511/4885
US-20180093958-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC PRODUCT CCNA2, CCNB2, CCNA1 NOS3 2016/4885NOS1 1320/4885NOS2 951/4885
US-20100228008-A1 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ANXA5, POLRMT, DCLRE1B NOS3 3793/4885NOS1 4146/4885NOS2 4297/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.