SCHEMBL1105684

SCHEMBL1105684

CC1=Nc2cnccc2C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1105795 0.83 PDE3B (0.39) PDE3BPDE3ASIGMAR1CHRNB2CHRNA4
SCHEMBL29291837 0.76 MAOA (0.38) PDE3BPDE3ASIRT3TDP1
SCHEMBL17811376 0.75 PDE3B (0.36) PDE3BPDE3ASIGMAR1CHRNB2CHRNA4
SCHEMBL19699945 0.75 SIGMAR1 (0.39) PDE3BPDE3ASIGMAR1CHRNB2CHRNA4
SCHEMBL13844803 0.72 PDE3B (0.41) PDE3BPDE3ASIGMAR1CHRNB2CHRNA4
SCHEMBL47849 0.71 NOS3 (0.43) SIGMAR1TDP1
SCHEMBL18996013 0.71
SCHEMBL27484555 0.70 HRH4 (0.42) SIGMAR1
Iodide SCHEMBL28304051 0.70 HRH4 (0.42) SIGMAR1
SCHEMBL31544358 0.68 SIRT3 (0.43) PDE3BPDE3ASIGMAR1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093958-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC PRODUCT ZEON CORPORATION (JP) 2018-04-05 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
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-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US disclosed
US-9250249-B2 Autophagy and phospholipidosis pathway assays ENZO BIOCHEM, INC. (US) 2016-02-02 US disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-20130045480-A1 Novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes - useful or detection or quantification of desirable target molecules ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2013-02-21 US disclosed
US-8357801-B2 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits ENZO LIFE SCIENCES, INC. (US) 2013-01-22 US disclosed
US-8153802-B2 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. (US) 2012-04-10 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-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 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-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

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

For each of this compound's patents that has machine-readable text (7 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-20160257659-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC PRODUCT CCNA1, PYM1, SCO2 PDE3B 4545/4885PDE3A 4664/4885SIGMAR1 2208/4885
US-20090226954-A1 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits SSBP1, IMMT, DNAJA3 PDE3B 4778/4885PDE3A 4804/4885SIGMAR1 1375/4885
US-20130045480-A1 Novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes - useful or detection or quantification of desirable target molecules ANXA5, DCLRE1B, ANXA4 PDE3B 4471/4885PDE3A 4445/4885SIGMAR1 1845/4885
US-20170174678-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, ZC3HAV1L PDE3B 1852/4885PDE3A 2148/4885SIGMAR1 671/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A PDE3B 5/4885PDE3A 3/4885SIGMAR1 2447/4885
US-20180093958-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC PRODUCT CCNA2, CCNB2, CCNA1 PDE3B 4524/4885PDE3A 4535/4885SIGMAR1 1928/4885
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 PDE3B 4525/4885PDE3A 4465/4885SIGMAR1 2274/4885

“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.