SCHEMBL5015324

SCHEMBL5015324

NC1CCN(Cc2cccnc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.68
CHRNA4 P43681 1/20 0.68
TRPV6 Q9H1D0 4/20 0.54
SIGMAR1 Q99720 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50

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 SCHEMBL61401 0.98 CHRNB2 (0.66) CHRNB2CHRNA4TRPV6SIGMAR1KDM4E
SCHEMBL6975576 0.91 CHRNB2 (0.59) CHRNB2CHRNA4TRPV6SIGMAR1KDM4E
SCHEMBL2037248 0.91 CHRNB2 (0.59) CHRNB2CHRNA4TRPV6SIGMAR1KDM4E
SCHEMBL15033054 0.90 CHRNB2 (0.55) CHRNB2CHRNA4TRPV6SIGMAR1DRD2
Hydrochloric Acid SCHEMBL8052496 0.89 CHRNB2 (0.58) CHRNB2CHRNA4TRPV6SIGMAR1KDM4E
Isophthalic Acid SCHEMBL27909047 0.85 DRD4 (0.54) CHRNB2CHRNA4TRPV6SIGMAR1KDM4E
SCHEMBL23028620 0.84 CHRNB2 (0.64) CHRNB2CHRNA4TRPV6SIGMAR1KDM4E
SCHEMBL29508484 0.84 CHRNB2 (0.64) CHRNB2CHRNA4TRPV6SIGMAR1KDM4E
SCHEMBL16026435 0.84 CHRNB2 (0.85) CHRNB2CHRNA4TRPV6KDM4EALDH1A1
SCHEMBL12424619 0.84 CHRNB2 (0.68) CHRNB2CHRNA4TRPV6SIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771340-B1 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-04-13 EP claimed
EP-2771340-A1 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2014-09-03 EP claimed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP claimed
US-20130150340-A1 6-(4-Hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-06-13 US claimed
WO-2013060636-A1 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-05-02 WO claimed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US claimed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US claimed
CN-107567445-B 2-phenyl-3H-imidazo [4,5-B ] pyridine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity 坎塞拉有限公司 2021-06-29 CN disclosed
WO-2021050913-A1 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed
WO-2019216810-A1 NEW ANTIFUNGAL COMPOUNDS URBAN CONSTANTIN (SE) 2019-11-14 WO disclosed
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 WO disclosed
EP-2771340-B1 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-04-13 EP disclosed
EP-2771340-A1 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2014-09-03 EP disclosed
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed
EP-0343307-A1 4-Piperidinealkanamine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (ES) 1989-11-29 EP 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 (2 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S CHRNB2 3550/4885CHRNA4 2840/4885TRPV6 1399/4885
US-20130150340-A1 6-(4-Hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP4K2, MAP3K19 CHRNB2 3675/4885CHRNA4 2645/4885TRPV6 1843/4885

“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.