SCHEMBL1783767

SCHEMBL1783767

CC(=O)Nc1nc2c(s1)C(O)=C(C(=O)c1ccc(NC(C)(C)C)nc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.39
PIK3CA P42336 3/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
VNN1 O95497 8/20 0.36
PIK3C3 Q8NEB9 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
OGA O60502 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
SCHEMBL1784359 0.89 HCAR3 (0.40) PIK3CGPIK3CAPIK3CDPIK3CBLMNA
SCHEMBL1782452 0.87 HCAR3 (0.44) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1782768 0.86 HCAR3 (0.43) PIK3CGPIK3CAPIK3CDPIK3CBLMNA
SCHEMBL1783498 0.86 HCAR3 (0.43) PIK3CGPIK3CAPIK3CDPIK3CBLMNA
SCHEMBL1781491 0.85 PIK3CG (0.42) PIK3CGPIK3CAPIK3CDPIK3CBLMNA
SCHEMBL1783223 0.84 OGA (0.42) PIK3CGPIK3CAPIK3CDPIK3CBLMNA
SCHEMBL1781217 0.84 PIK3CG (0.43) PIK3CGPIK3CAPIK3CDPIK3CBMAPT
SCHEMBL13690398 0.84 PIK3CA (0.43) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1783449 0.83 HCAR3 (0.45) PIK3CGPIK3CAPIK3CDPIK3CBMAPT
SCHEMBL1118042 0.83 PIK3CG (0.38) PIK3CGPIK3CAPIK3CDPIK3CBLMNA

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 4280/4885PIK3CA 2993/4885PIK3CD 3523/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R PIK3CG 4280/4885PIK3CA 2993/4885PIK3CD 3523/4885

“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.