SCHEMBL1782298

SCHEMBL1782298

COc1ccc(C(=O)C2=C(O)c3sc(NC(C)=O)nc3CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.50
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NNMT P40261 1/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CD O00329 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 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
SCHEMBL1781491 0.87 PIK3CG (0.42) PIK3CGMAPTLMNAGAAHPGD
SCHEMBL1781217 0.86 PIK3CG (0.43) PIK3CGMAPTALDH1A1PIK3CAPIK3CB
SCHEMBL13690398 0.86 PIK3CA (0.43) PIK3CGMAPTLMNAGAAHPGD
SCHEMBL1783223 0.86 OGA (0.42) PIK3CGMAPTLMNAGAAHPGD
SCHEMBL1784359 0.85 HCAR3 (0.40) PIK3CGMAPTLMNAGAAHPGD
SCHEMBL1118042 0.85 PIK3CG (0.38) PIK3CGMAPTLMNAGAAHPGD
SCHEMBL1781135 0.84 PIK3CG (0.39) PIK3CGMAPTLMNAGAAHPGD
SCHEMBL1782049 0.84 PIK3CG (0.38) PIK3CGMAPTLMNAGAAHPGD
SCHEMBL1782452 0.83 HCAR3 (0.44) PIK3CGMAPTLMNAGAAHPGD
SCHEMBL1783284 0.83 PIK3CG (0.37) PIK3CGMAPTLMNAGAAHPGD

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 PIK3CG 4280/4885MAPT 2509/4885LMNA 2884/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R PIK3CG 4280/4885MAPT 2509/4885LMNA 2884/4885

“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.