SCHEMBL4550902

SCHEMBL4550902

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
POLB P06746 1/20 0.34
MET P08581 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
PDE10A Q9Y233 2/20 0.31
AURKA O14965 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
PLK1 P53350 1/20 0.31
CCNA1 P78396 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
SCHEMBL4550901 0.95 ALDH1A1 (0.35) ALDH1A1POLBCYP1A2CYP2C19NPC1
SCHEMBL12651763 0.91 ALDH1A1 (0.35) ALDH1A1POLBCYP1A2CYP2C19NPC1
SCHEMBL4550836 0.89 ACHE (0.35) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL13690329 0.89 CSNK2A2 (0.37) ALDH1A1POLBCYP1A2CYP2C19NPC1
SCHEMBL4547280 0.89 PIK3CG (0.39) POLBNPC1RAB9ASMN1; SMN2AURKA
SCHEMBL4547244 0.87 LPAR2 (0.38) ALDH1A1SMN1; SMN2LPAR2PDE10AAURKA
SCHEMBL13690332 0.87 ABL1 (0.37) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4547347 0.86 CYP3A4 (0.35) ALDH1A1NPC1RAB9ALPAR2AURKA
SCHEMBL10182328 0.85 MET (0.38) ALDH1A1METNPC1RAB9ASMN1; SMN2
SCHEMBL10182526 0.85 AURKA (0.35) PDE10AAURKACCNA2CDK2PLK1

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 3 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
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 (1 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 ALDH1A1 54/4885POLB 3933/4885MET 254/4885

“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.