SCHEMBL4948626

SCHEMBL4948626

CNc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
CHEK1 O14757 1/20 0.56
RET P07949 1/20 0.56
PDGFRB P09619 1/20 0.56
PIM1 P11309 1/20 0.56
PDGFRA P16234 1/20 0.56
GSK3B P49841 1/20 0.56
RPS6KA3 P51812 1/20 0.56
LIMK1 P53667 1/20 0.56
CDK5 Q00535 1/20 0.56
TYRO3 Q06418 1/20 0.56
MAPK14 Q16539 1/20 0.56
LRRK2 Q5S007 1/20 0.56
AURKB Q96GD4 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL922634 0.83 MKNK1 (0.44) L3MBTL1CHEK1RETPDGFRBPIM1
Isophthalic Acid SCHEMBL27963323 0.83 MAPK14 (0.51) L3MBTL1CHEK1RETPDGFRBPIM1
SCHEMBL7395253 0.81 POLB (0.55) L3MBTL1CHEK1RETPDGFRBPIM1
SCHEMBL11886170 0.80 ADORA3 (0.55) L3MBTL1CHEK1RETPDGFRBPIM1
SCHEMBL167579 0.80 L3MBTL1 (0.53) L3MBTL1CHEK1RETPDGFRBPIM1
SCHEMBL5534364 0.79 GAA (0.62) L3MBTL1CHEK1RETPDGFRBPIM1
SCHEMBL9054189 0.78 L3MBTL1 (0.50) L3MBTL1CHEK1RETPDGFRBPIM1
SCHEMBL11845358 0.78 GSK3B (0.56) L3MBTL1CHEK1RETPDGFRBPIM1
SCHEMBL28246253 0.77 POLB (0.50) L3MBTL1CHEK1RETPDGFRBPIM1
SCHEMBL9051736 0.75 TLR8 (0.51) L3MBTL1CHEK1RETPDGFRBPIM1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996034591-A1 DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION L'OREAL (FR) 1996-11-07 WO claimed
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2022-06-28 US disclosed
US-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-09-16 US disclosed
EP-3523291-B1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-04-14 EP disclosed
EP-2078002-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-8227605-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORPORATION (US) 2012-07-24 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
EP-1879869-A1 PROCESS FOR THE PREPARATION OF 5-ALKYLTHIOALKYLAMINO-1-PHENYL-PYRAZOLES Merial Limited (US) 2008-01-23 EP disclosed
WO-2006119862-A1 PROCESS FOR THE PREPARATION OF 5-ALKYLTHIOALKYLAMINO-1-PHENYL-PYRAZOLES MERIAL LTD. (US) 2006-11-16 WO disclosed
EP-1404288-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2004-04-07 EP disclosed
WO-2002051372-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2002-07-04 WO disclosed
WO-1996034591-A1 DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION L'OREAL (FR) 1996-11-07 WO disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 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 (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-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 L3MBTL1 4408/4885CHEK1 395/4885RET 542/4885
US-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP28, USP1 L3MBTL1 1196/4885CHEK1 387/4885RET 3736/4885
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 USP30, USP28, USP1 L3MBTL1 1196/4885CHEK1 387/4885RET 3736/4885

“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.