SCHEMBL1117849

SCHEMBL1117849

Cc1ccc(C(=O)C2=C(O)c3sc(N)nc3CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CCNT1 O60563 5/20 0.33
CDK2 P24941 5/20 0.33
CDK9 P50750 5/20 0.33
CDK1 P06493 4/20 0.33
CDK4 P11802 4/20 0.33
CCNB1 P14635 4/20 0.33
CCND1 P24385 4/20 0.33
CCNE1 P24864 4/20 0.33
CDK7 P50613 4/20 0.33
CCNH P51946 4/20 0.33
ALDH1A1 P00352 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MAPK1 P28482 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
SCHEMBL1117938 0.88 HDAC1 (0.40) HDAC1HDAC6CCNT1CDK2CDK9
SCHEMBL2671316 0.87 HDAC1 (0.35) HDAC1HDAC6CCNT1CDK2CDK9
SCHEMBL1118040 0.83 HCAR3 (0.45) CCNT1CDK2CDK9CDK1CDK4
SCHEMBL1781491 0.82 PIK3CG (0.42) HDAC1HDAC6ALDH1A1PIK3CDPIK3CA
SCHEMBL4550899 0.81 TSHR (0.40) HDAC1HDAC6CCNT1CDK2CDK9
SCHEMBL1781189 0.80 RAB9A (0.38) HDAC1HDAC6ALDH1A1PIK3CDPIK3CA
SCHEMBL1117942 0.79 HTT (0.44) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL1117979 0.78 PIK3CD (0.40) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13690398 0.75 PIK3CA (0.43) HDAC1HDAC6CDK9PIK3CDPIK3CA
SCHEMBL1118068 0.75 CSNK2A2 (0.38) HDAC1HDAC6CCNT1CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
CN-102015728-A Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INT 2011-04-13 CN disclosed
EP-2280982-A1 THIAZOLYL-DIHYDRO-INDAZOLES Boehringer Ingelheim International GmbH (DE) 2011-02-09 EP disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 WO disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 WO 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HDAC1 82/4885HDAC6 497/4885CCNT1 8/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HDAC1 82/4885HDAC6 497/4885CCNT1 8/4885

“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.