SCHEMBL1783449

SCHEMBL1783449

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.45
PIK3CG P48736 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNA2 P20248 4/20 0.35
CDK2 P24941 4/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
OGA O60502 11/20 0.34
RAB9A P51151 1/20 0.33
CCNE1 P24864 1/20 0.32

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 0.89 HCAR3 (0.43) HCAR3PIK3CGMAPTHPGDSMN1; SMN2
SCHEMBL1783723 0.87 OGA (0.34) HCAR3PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1784359 0.86 HCAR3 (0.40) HCAR3PIK3CGALDH1A1MAPTKDM4E
SCHEMBL1781674 0.85 HCAR3 (0.47) HCAR3PIK3CGALDH1A1MAPTKDM4E
SCHEMBL1782452 0.84 HCAR3 (0.44) HCAR3PIK3CGALDH1A1MAPTHPGD
SCHEMBL1782768 0.83 HCAR3 (0.43) HCAR3PIK3CGALDH1A1MAPTKDM4E
SCHEMBL1783767 0.83 PIK3CG (0.39) PIK3CGMAPTHPGDPIK3CDPIK3CA
SCHEMBL1781491 0.82 PIK3CG (0.42) PIK3CGALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1782049 0.81 PIK3CG (0.38) PIK3CGALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13690398 0.81 PIK3CA (0.43) PIK3CGMAPTHPGDPIK3CDPIK3CA

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 7 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
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 2774/4885PIK3CG 4280/4885ALDH1A1 54/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R HCAR3 2774/4885PIK3CG 4280/4885ALDH1A1 54/4885

“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.