SCHEMBL4547345

SCHEMBL4547345

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
PLK1 P53350 1/20 0.36
CCNA1 P78396 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
PI4KB Q9UBF8 8/20 0.34
SRC P12931 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3C2A O00443 1/20 0.33
PIK3C2B O00750 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
SCHEMBL4547327 0.92 PIK3CD (0.36) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4547330 0.92 ADORA2A (0.39) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4547328 0.91 ALDH1A1 (0.36) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL12651775 0.91 AURKA (0.34) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4547329 0.90 ALDH1A1 (0.39) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4547347 0.90 CYP3A4 (0.35) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4547235 0.90 PIK3CG (0.39) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4550867 0.89 AURKA (0.39) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL1782769 0.89 PI4KB (0.36) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4547337 0.89 PDE10A (0.35) AURKACCNA2CDK2PLK1CCNA1

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 5 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-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 AURKA 1441/4885CCNA2 47/4885CDK2 29/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R AURKA 1441/4885CCNA2 47/4885CDK2 29/4885

“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.