SCHEMBL1118503

SCHEMBL1118503

CCNc1ccc(C(=O)C2=C(O)c3sc(NC(=O)CNC(=O)OC(C)(C)C)nc3CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 2/20 0.36
PI4KA P42356 1/20 0.36
HCAR3 P49019 1/20 0.35
FPR3 P25089 2/20 0.31
FPR2 P25090 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
EGFR P00533 2/20 0.30
AURKB Q96GD4 2/20 0.30
RAF1 P04049 1/20 0.30
KDR P35968 1/20 0.30
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 1/20 0.30
GRIN2B Q13224 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL1118480 0.86 HCAR3 (0.34) PI4KBPI4KAHCAR3MAPTTP53
SCHEMBL1117941 0.83 HCAR3 (0.41) HCAR3
SCHEMBL1783498 0.83 HCAR3 (0.43) HCAR3MAPT
SCHEMBL27857536 0.83 HCAR3 (0.39) PI4KBPI4KAHCAR3MAPT
SCHEMBL1780133 0.83 HCAR3 (0.39) PI4KBHCAR3MAPTTP53
SCHEMBL1117865 0.82 HCAR3 (0.42) PI4KBHCAR3TP53
SCHEMBL1117883 0.82 HCAR3 (0.41) PI4KBPI4KAHCAR3TP53LCK
SCHEMBL692405 0.81 HCAR3 (0.34) PI4KBPI4KAHCAR3FPR3FPR2
SCHEMBL1117879 0.80 HCAR3 (0.40) HCAR3TP53
SCHEMBL1783367 0.80 HCAR3 (0.37) PI4KBHCAR3MAPTGRIN2B

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
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

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 PI4KB 2248/4885PI4KA 2602/4885HCAR3 2774/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R PI4KB 2248/4885PI4KA 2602/4885HCAR3 2774/4885

“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.