SCHEMBL1117877

SCHEMBL1117877

Cc1ccc(C(=O)C2=C(O)c3sc(NC(=O)NCCCN(C)C)nc3CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
PI4KA P42356 1/20 0.37
LCK P06239 2/20 0.36
KDM4E B2RXH2 3/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
TET3 O43151 1/20 0.34
TET2 Q6N021 1/20 0.34
TET1 Q8NFU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
NAMPT P43490 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1117909 0.89 EPHX2 (0.39) PIK3CAPIK3CGNPC1RAB9API4KB
SCHEMBL1117967 0.83 LCK (0.37) PIK3CGPI4KBPI4KALCKNAMPT
SCHEMBL1781491 0.82 PIK3CG (0.42) POLBPIK3CAPIK3CGNPC1RAB9A
SCHEMBL1781189 0.81 RAB9A (0.38) POLBPIK3CAPIK3CGNPC1RAB9A
SCHEMBL1117942 0.80 HTT (0.44) POLBNPC1RAB9AKDM4EALDH1A1
SCHEMBL4550899 0.80 TSHR (0.40) POLBPIK3CGNPC1RAB9API4KB
SCHEMBL1781560 0.79 PIK3CA (0.36) PIK3CAPIK3CGNPC1RAB9API4KB
SCHEMBL1118068 0.78 CSNK2A2 (0.38) POLBNPC1RAB9AKDM4EL3MBTL1
SCHEMBL1783723 0.78 OGA (0.34) PIK3CAPIK3CGPI4KBPIK3CDPIK3CB
SCHEMBL1117926 0.77 HCAR3 (0.37) PIK3CGNPC1RAB9API4KBPI4KA

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 9 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
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 POLB 3933/4885ALOX15 2523/4885PIK3CA 2993/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R POLB 3933/4885ALOX15 2523/4885PIK3CA 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.