SCHEMBL943294

SCHEMBL943294

CNc1cc(C)cc(C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 1.00
NOS2 P35228 2/20 1.00
MAPK1 P28482 2/20 0.47
NOS1 P29475 1/20 0.46
LCK P06239 1/20 0.46
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
GBA1 P04062 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
Hydrochloric Acid SCHEMBL28377173 0.98 NOS3 (0.95) NOS3NOS2MAPK1NOS1LCK
SCHEMBL20028512 0.81 NOS3 (0.68) NOS3NOS2MAPK1NOS1LCK
SCHEMBL6299860 0.78 NOS3 (0.64) NOS3NOS2MAPK1NOS1LCK
SCHEMBL18469859 0.78 NOS3 (0.64) NOS3NOS2MAPK1NOS1LCK
SCHEMBL20003587 0.78 NOS3 (0.64) NOS3NOS2MAPK1NOS1LCK
SCHEMBL23860983 0.76 NOS3 (0.61) NOS3NOS2MAPK1ALOX15ALDH1A1
SCHEMBL10265668 0.76 NOS3 (0.61) NOS3NOS2MAPK1LCKALOX15
SCHEMBL6264496 0.76 NOS3 (0.61) NOS3NOS2MAPK1NOS1LCK
SCHEMBL8893556 0.76 NOS3 (0.61) NOS3NOS2ALOX15ALDH1A1SMN1; SMN2
SCHEMBL30133408 0.76 NOS3 (0.61) NOS3NOS2MAPK1ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8198851-A None JP disclosed
JP-60112768-A None JP disclosed
WO-2023072273-A1 POLYCYCLIC COMPOUND AS CBL-B INHIBITOR 先声再明医药有限公司 2023-05-04 WO disclosed
CN-107922406-B CGRP receptor antagonists 伊兰科美国公司 2020-04-03 CN disclosed
WO-2020035065-A1 PYRAZOLE DERIVATIVE AS RET INHIBITOR 南京明德新药研发有限公司 2020-02-20 WO disclosed
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
EP-3152193-B1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN HOLZGRABE ULRIKE (DE) 2018-03-28 EP disclosed
US-20170152229-A1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2017-06-01 US disclosed
EP-3004107-B1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-05-10 EP disclosed
US-20170097567-A1 METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-06 US disclosed
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 WO disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
JP-H08198851-A SYNTHESIS OF METHYLAMINOPYRIDINE DERIVATIVE NISSHIN FLOUR MILLING CO LTD 1996-08-06 JP disclosed
US-5290797-A Benzopyran compounds ADIR ET COMPAGNIE (FR) 1994-03-01 US disclosed
US-4869983-A SENSITIZERS, CHARGE GENERATING COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
JP-S60112768-A METHYLAMINOPYRIDINE DERIVATIVE TOYO SODA MFG CO LTD 1985-06-19 JP 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 (3 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-20170152229-A1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN HSPH1, HSP90AB1, HSP90AB2P NOS3 2652/4885NOS2 1617/4885MAPK1 2200/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B NOS3 1823/4885NOS2 2195/4885MAPK1 2347/4885
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 NOS3 3652/4885NOS2 2712/4885MAPK1 1724/4885

“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.