SCHEMBL4438696

SCHEMBL4438696

COc1cccc(C(=O)Nc2n[nH]c3ccc(-c4ccco4)cc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 8/20 0.60
CDK2 P24941 3/20 0.59
GSK3A P49840 3/20 0.59
CDC7 O00311 2/20 0.59
DAPK3 O43293 2/20 0.59
PAK4 O96013 2/20 0.59
FLT3 P36888 2/20 0.59
CLK2 P49760 2/20 0.59
PRKX P51817 2/20 0.59
CDK5 Q00535 2/20 0.59
CAMK2D Q13557 2/20 0.59
DYRK1A Q13627 2/20 0.59
MELK Q14680 2/20 0.59
HIPK2 Q9H2X6 2/20 0.59
STK17A Q9UEE5 2/20 0.59
ROCK2 O75116 2/20 0.59
JAK2 O60674 1/20 0.59
MAP4K4 O95819 1/20 0.59
PRKACA P17612 1/20 0.59
CSNK1A1 P48729 1/20 0.59

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
SCHEMBL4448025 0.90 CDK7 (0.62) CDK7CDK2GSK3ACDC7DAPK3
SCHEMBL1179410 0.87 CDK7 (0.56) CDK7CDK2GSK3ACDC7DAPK3
SCHEMBL1179842 0.86 CDK7 (0.55) CDK7CDK2GSK3ACDC7DAPK3
SCHEMBL1179731 0.86 CDK7 (0.63) CDK7CDK2GSK3ACDC7DAPK3
SCHEMBL1179505 0.85 CDK7 (0.57) CDK7CDK2GSK3ACDC7DAPK3
SCHEMBL1179540 0.85 CDK2 (0.52) CDK7CDK2GSK3ACDC7DAPK3
SCHEMBL1180658 0.85 CDK7 (0.56) CDK7CDK2GSK3ACDC7DAPK3
SCHEMBL1179465 0.85 CDK7 (0.62) CDK7CDK2GSK3ACDC7DAPK3
SCHEMBL4442349 0.85 CDK2 (0.49) CDK7CDK2GSK3ACDC7DAPK3
SCHEMBL12888233 0.83 CDK2 (0.49) CDK7CDK2GSK3ACDC7DAPK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076091-A1 INDAZOLE-HETEROARYL DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-19 US claimed

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-20090076091-A1 INDAZOLE-HETEROARYL DERIVATIVES CHEK2, CHEK1, SGK3 CDK7 241/4885CDK2 39/4885GSK3A 131/4885

“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.