SCHEMBL1782452

SCHEMBL1782452

CC(=O)Nc1nc2c(s1)C(O)=C(C(=O)c1ccc(NC3CC3)nc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.44
PI4KB Q9UBF8 2/20 0.39
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
PIK3CG P48736 6/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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 0.90 HCAR3 (0.40) HCAR3PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1782768 0.87 HCAR3 (0.43) HCAR3PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1783498 0.87 HCAR3 (0.43) HCAR3PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1783767 0.87 PIK3CG (0.39) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1117947 0.87 HCAR3 (0.42) HCAR3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1781491 0.86 PIK3CG (0.42) PIK3CGPIK3CDPIK3CAPIK3CBLMNA
SCHEMBL13690398 0.85 PIK3CA (0.43) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1781217 0.85 PIK3CG (0.43) PIK3CGPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL1783223 0.85 OGA (0.42) PIK3CGPIK3CDPIK3CAPIK3CBLMNA
SCHEMBL1783449 0.84 HCAR3 (0.45) HCAR3PIK3CGPIK3CDPIK3CAPIK3CB

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 8 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
CN-102015728-A Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INT 2011-04-13 CN 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 2774/4885PI4KB 2248/4885PRKAB2 3691/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HCAR3 2774/4885PI4KB 2248/4885PRKAB2 3691/4885

“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.