SCHEMBL1781674

SCHEMBL1781674

COCCNc1ccc(C(=O)C2=C(O)c3sc(NC(C)=O)nc3CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.47
PIK3CG P48736 6/20 0.42
ADRA1A P35348 3/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
OGA O60502 2/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
MAPK14 Q16539 1/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CD O00329 1/20 0.34
DGAT1 O75907 1/20 0.33
PI4KB Q9UBF8 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
SCHEMBL1783498 0.88 HCAR3 (0.43) HCAR3PIK3CGOGALMNAGAA
SCHEMBL1783723 0.88 OGA (0.34) HCAR3PIK3CGOGAPIK3CAPIK3CB
SCHEMBL1117984 0.86 HCAR3 (0.40) HCAR3PIK3CGADRA1AALDH1A1PI4KB
SCHEMBL1784359 0.85 HCAR3 (0.40) HCAR3PIK3CGKDM4EALDH1A1OGA
SCHEMBL1783449 0.85 HCAR3 (0.45) HCAR3PIK3CGKDM4EALDH1A1OGA
SCHEMBL1782452 0.83 HCAR3 (0.44) HCAR3PIK3CGALDH1A1LMNAGAA
SCHEMBL1117926 0.83 HCAR3 (0.37) HCAR3PIK3CGALDH1A1LMNAMAPT
SCHEMBL1783767 0.83 PIK3CG (0.39) PIK3CGOGALMNAGAAMAPT
SCHEMBL1782768 0.83 HCAR3 (0.43) HCAR3PIK3CGKDM4EALDH1A1OGA
SCHEMBL1782298 0.82 PIK3CG (0.50) PIK3CGKDM4EALDH1A1OGALMNA

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 7 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-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
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 HCAR3 2774/4885PIK3CG 4280/4885ADRA1A 367/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HCAR3 2774/4885PIK3CG 4280/4885ADRA1A 367/4885

“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.