SCHEMBL387290

SCHEMBL387290

Cc1cc(N)cc(-n2cccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
NOTUM Q6P988 2/20 0.42
GRM5 P41594 1/20 0.41
KAT6A Q92794 9/20 0.41
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
MAPK1 P28482 1/20 0.39
TDO2 P48775 1/20 0.38
NLRP3 Q96P20 2/20 0.37

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 SCHEMBL11484961 0.98 MAPT (0.46) MAPTALDH1A1TSHRNOTUMGRM5
SCHEMBL873113 0.91 MAPT (0.53) MAPTALDH1A1NOTUMGRM5KAT6A
SCHEMBL14964128 0.87 MAPT (0.49) MAPTALDH1A1NOTUMGRM5KAT6A
SCHEMBL14955783 0.87 NOTUM (0.48) MAPTALDH1A1NOTUMKDM4EKMT2A
SCHEMBL23702605 0.79 NOTUM (0.42) MAPTALDH1A1NOTUMKDM4EKMT2A
SCHEMBL526836 0.79 ALDH1A1 (0.47) MAPTALDH1A1NOTUMGRM5KAT6A
SCHEMBL16787410 0.79 KAT6A (0.46) MAPTALDH1A1NOTUMGRM5KAT6A
SCHEMBL221069 0.79 ADORA2A (0.42) MAPTALDH1A1NOTUMKDM4EKMT2A
SCHEMBL15652439 0.79 NOTUM (0.42) MAPTALDH1A1NOTUMKDM4EKMT2A
SCHEMBL6209994 0.79 MAPT (0.43) MAPTALDH1A1NOTUMGRM5KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024078513-A1 CONDENSED AZINES FOR TREATING CANCER CHENGDU ANTICANCER BIOSCIENCE , LTD. (CN) 2024-04-18 WO disclosed
WO-2021152165-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN S.A. (FR) 2021-08-05 WO disclosed
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 WO disclosed
EP-2812346-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV Graffinity Pharmaceuticals GmbH (DE) 2014-12-17 EP disclosed
US-8778942-B2 Substituted acetylenic imidazo[1,2-A]pyrazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
WO-2013117707-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV GRAFFINITY PHARMACEUTICALS GMBH (DE) 2013-08-15 WO disclosed
US-20130196979-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
EP-2240506-B1 INHIBITORS OF IAP GENENTECH INC (US) 2012-12-26 EP disclosed
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed
US-8101731-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION 2012-01-24 US disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
EP-1989204-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-11-12 EP disclosed
US-20080114158-A1 Yellow anionic disazo dyes LENNARTZ MICHAEL 2008-05-15 US disclosed
US-7341607-B2 Based on diaminobenzanilides or, more specifically (aminobenzoylamino),(sulfo-),(methoxy)anilines; stable aqueous solutions;nonbleeding/colorfastness; excellent degrees of exhaustion with high colour strength; dyeing natural or synthetic materials, particularly, paper; neutral or greenish-yellow hues CIBA SPECIALTY CHEMICALS CORP. (US) 2008-03-11 US disclosed
WO-2007095628-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-08-23 WO disclosed
US-20050172420-A1 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORP. 2005-08-11 US disclosed
EP-1509574-A1 YELLOW ANIONIC DISAZO DYES Ciba SC Holding AG (CH) 2005-03-02 EP disclosed
WO-2003104333-A1 YELLOW ANIONIC DISAZO DYES CIBA SPECIALTY CHEMICALS HOLDING, INC. (CH) 2003-12-18 WO disclosed
WO-1998049219-A1 PYRAZOL-BASED ELECTROLUMINESCENT POLYMERS AND THEIR USE IN ELECTROLUMINESCENT DEVICES THE UNIVERSITY COURT OF NAPIER UNIVERSITY (GB) 1998-11-05 WO disclosed
EP-0169813-A2 Photographic recording material for the silver dye-bleaching process CIBA-GEIGY AG (CH) 1986-01-29 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-20130196979-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 MAPT 2300/4885ALDH1A1 636/4885TSHR 3513/4885
US-20050172420-A1 Yellow anionic disazo dyes IK, CYB5R3, DCXR MAPT 2297/4885ALDH1A1 3371/4885TSHR 3620/4885

“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.