SCHEMBL1780133

SCHEMBL1780133

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.39
MAPT P10636 4/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3CD O00329 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ALDH1A1 P00352 6/20 0.31
KDM4E B2RXH2 4/20 0.31
HPGD P15428 3/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
GFER P55789 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
SCHEMBL1783367 0.90 HCAR3 (0.37) HCAR3MAPTPIK3CAPIK3CBPIK3CG
SCHEMBL1783498 0.88 HCAR3 (0.43) HCAR3MAPTPIK3CAPIK3CBPIK3CG
SCHEMBL1118480 0.88 HCAR3 (0.34) HCAR3MAPTPIK3CAPIK3CBPIK3CG
SCHEMBL1117865 0.87 HCAR3 (0.42) HCAR3PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1117941 0.86 HCAR3 (0.41) HCAR3PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL1117883 0.86 HCAR3 (0.41) HCAR3PIK3CGPI4KBALDH1A1NPC1
SCHEMBL1117967 0.86 LCK (0.37) HCAR3PIK3CGPI4KBMAPK1
SCHEMBL1117909 0.85 EPHX2 (0.39) HCAR3PIK3CAPIK3CGPIK3CDPI4KB
SCHEMBL1117879 0.85 HCAR3 (0.40) HCAR3ALDH1A1NPC1TP53RAB9A
SCHEMBL27857536 0.84 HCAR3 (0.39) HCAR3MAPTPI4KBALDH1A1LMNA

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 2774/4885MAPT 2509/4885PIK3CA 2993/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HCAR3 2774/4885MAPT 2509/4885PIK3CA 2993/4885

“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.