SCHEMBL3701873

SCHEMBL3701873

Cc1ccc(-c2nnc(Nc3ccc(Sc4ccnc5cc(C#N)sc45)cc3)c3ccccc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 13/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
CA1 P00915 1/20 0.36
GAA P10253 1/20 0.36
KDR P35968 3/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
GPR174 Q9BXC1 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3707231 0.89 ENPP3 (0.43) ENPP3CA2CA9GAAKDR
SCHEMBL15663527 0.88 ENPP3 (0.46) ENPP3GAAKDRPOLBMAPT
SCHEMBL3703013 0.85 AURKA (0.45) ENPP3CA2CA9CA1KDR
SCHEMBL15663303 0.84 MAPT (0.44) ENPP3CA2CA9GAATP53
SCHEMBL15663538 0.83 KDR (0.38) ENPP3KDRMAPTHPGD
SCHEMBL15663740 0.81 KDR (0.44) ENPP3CA2CA9CA1GAA
SCHEMBL3698986 0.79 GAA (0.40) ENPP3CA2CA9CA1GAA
SCHEMBL3699414 0.78 KDR (0.47) ENPP3GAAKDRTP53POLB
SCHEMBL15663410 0.77 MAPT (0.45) ENPP3CA9GAAKDRTP53
SCHEMBL3704302 0.74 KDR (0.43) ENPP3KDRMAPTHPGD

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-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 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-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 ENPP3 1630/4885CA2 1759/4885CA9 1947/4885

“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.