SCHEMBL1783723

SCHEMBL1783723

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.34
HCAR3 P49019 4/20 0.34
PIK3CG P48736 4/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
MELK Q14680 2/20 0.32
WNT1 P04628 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
TNIK Q9UKE5 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2C19 P33261 1/20 0.31
RET P07949 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
SCHEMBL1783498 0.88 HCAR3 (0.43) OGAHCAR3PIK3CGPIK3CDPIK3CA
SCHEMBL1781674 0.88 HCAR3 (0.47) OGAHCAR3PIK3CGPIK3CDPIK3CA
SCHEMBL1783449 0.87 HCAR3 (0.45) OGAHCAR3PIK3CGPIK3CDPIK3CA
SCHEMBL1117967 0.86 LCK (0.37) HCAR3PIK3CGPI4KB
SCHEMBL1784359 0.85 HCAR3 (0.40) OGAHCAR3PIK3CGPIK3CDPIK3CA
SCHEMBL1782452 0.83 HCAR3 (0.44) HCAR3PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1117909 0.83 EPHX2 (0.39) HCAR3PIK3CGPIK3CDPIK3CAPI4KB
SCHEMBL1783367 0.83 HCAR3 (0.37) HCAR3PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1783767 0.83 PIK3CG (0.39) OGAPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1782768 0.83 HCAR3 (0.43) OGAHCAR3PIK3CGPIK3CDPIK3CA

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 OGA 4252/4885HCAR3 2774/4885PIK3CG 4280/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R OGA 4252/4885HCAR3 2774/4885PIK3CG 4280/4885

“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.