SCHEMBL1117883

SCHEMBL1117883

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.41
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
PIK3CG P48736 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
LCK P06239 1/20 0.31

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
SCHEMBL1117941 0.93 HCAR3 (0.41) HCAR3PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL1783498 0.91 HCAR3 (0.43) HCAR3PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL1117865 0.90 HCAR3 (0.42) HCAR3PI4KBPIK3CGNPC1ALDH1A1
SCHEMBL1117879 0.87 HCAR3 (0.40) HCAR3NPC1ALDH1A1TP53POLB
SCHEMBL1117967 0.87 LCK (0.37) HCAR3PI4KAPI4KBPIK3CGLCK
SCHEMBL1117984 0.87 HCAR3 (0.40) HCAR3PI4KAPI4KBPIK3CGALDH1A1
SCHEMBL27857536 0.86 HCAR3 (0.39) HCAR3PI4KAPI4KBNPC1ALDH1A1
SCHEMBL1780133 0.86 HCAR3 (0.39) HCAR3PI4KBPIK3CGNPC1ALDH1A1
SCHEMBL1117909 0.86 EPHX2 (0.39) HCAR3PI4KAPI4KBPIK3CGNPC1
SCHEMBL1117926 0.86 HCAR3 (0.37) HCAR3PI4KAPI4KBPIK3CGNPC1

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 10 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
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
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 2774/4885PI4KA 2602/4885PI4KB 2248/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HCAR3 2774/4885PI4KA 2602/4885PI4KB 2248/4885

“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.