SCHEMBL4547280

SCHEMBL4547280

Cc1ccc(-c2nn(C(C)C)c3c2CCc2nc(NC(=O)NCCCN(C)C)sc2-3)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.39
PIK3CA P42336 2/20 0.39
PI4KB Q9UBF8 2/20 0.35
PI4KA P42356 1/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
ABL1 P00519 1/20 0.33
PIK3CD O00329 3/20 0.33
PIK3CB P42338 1/20 0.33
EIF4E P06730 2/20 0.32
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
IGF1R P08069 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MTOR P42345 1/20 0.32
AURKA O14965 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
SCHEMBL13690332 0.95 ABL1 (0.37) PIK3CGPIK3CAPI4KBPI4KAABL1
SCHEMBL4550836 0.90 ACHE (0.35) PIK3CGPIK3CAPI4KBPI4KAPIK3CD
SCHEMBL10182678 0.89 PIK3CG (0.37) PIK3CGPI4KBPI4KAABL1NPC1
SCHEMBL4550902 0.89 ALDH1A1 (0.34) PIK3CGPIK3CAPI4KBPOLBPIK3CD
SCHEMBL4550901 0.87 ALDH1A1 (0.35) PIK3CGPIK3CAPI4KBPI4KAPOLB
SCHEMBL4547347 0.87 CYP3A4 (0.35) PIK3CGPIK3CAPI4KBABL1PIK3CD
SCHEMBL10182250 0.86 AURKA (0.35) PIK3CGPIK3CAPI4KBPI4KAPIK3CD
SCHEMBL10182526 0.86 AURKA (0.35) PIK3CGPIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL4547345 0.85 AURKA (0.36) PIK3CGPIK3CAPI4KBPI4KAPOLB
SCHEMBL4547235 0.85 PIK3CG (0.39) PIK3CGPIK3CAPIK3CDPIK3CBAURKA

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 PIK3CG 4280/4885PIK3CA 2993/4885PI4KB 2248/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R PIK3CG 4280/4885PIK3CA 2993/4885PI4KB 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.