SCHEMBL758654

SCHEMBL758654

COc1cccc(C(=O)Nc2n[nH]c3ccc(N)cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 3/20 0.58
ROCK2 O75116 3/20 0.58
CDK2 P24941 3/20 0.58
FLT3 P36888 3/20 0.58
CDC7 O00311 2/20 0.58
DAPK3 O43293 2/20 0.58
PAK4 O96013 2/20 0.58
CLK2 P49760 2/20 0.58
GSK3A P49840 2/20 0.58
PRKX P51817 2/20 0.58
CDK5 Q00535 2/20 0.58
CAMK2D Q13557 2/20 0.58
DYRK1A Q13627 2/20 0.58
MELK Q14680 2/20 0.58
HIPK2 Q9H2X6 2/20 0.58
STK17A Q9UEE5 2/20 0.58
JAK2 O60674 1/20 0.58
MAP4K4 O95819 1/20 0.58
PRKACA P17612 1/20 0.58
CSNK1A1 P48729 1/20 0.58

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
SCHEMBL2527438 0.86 FLT3 (0.62) CDK7ROCK2CDK2FLT3CDC7
SCHEMBL761113 0.83 JAK2 (0.62) CDK7ROCK2FLT3CDC7DAPK3
SCHEMBL760581 0.82 ULK1 (0.53) CDK7ROCK2CDK2FLT3CDC7
SCHEMBL4438696 0.81 CDK7 (0.60) CDK7ROCK2CDK2FLT3CDC7
SCHEMBL10269232 0.80 ROCK1 (0.57) CDK7ROCK2CDK2FLT3CDC7
SCHEMBL1179465 0.79 CDK7 (0.62) CDK7ROCK2CDK2FLT3CDC7
SCHEMBL4784161 0.76 HDAC6 (0.58) CDK7ROCK2CDK2FLT3CDC7
SCHEMBL1335092 0.76 NTRK1 (0.61) CDK7FLT3CDC7DAPK3PAK4
SCHEMBL627302 0.75 GSK3B (0.60) CDK2DAPK3CLK2GSK3ACDK5
SCHEMBL1230073 0.75 FADS1 (0.56) CDK7ROCK2CDK2FLT3CDC7

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-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 CDK7 693/4885ROCK2 3219/4885CDK2 790/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 CDK7 693/4885ROCK2 3219/4885CDK2 790/4885

“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.