SCHEMBL3701591

SCHEMBL3701591

Cc1ccc(-c2nnc(Nc3ccc(Sc4ccnc5ccoc45)cc3)c3ccccc23)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.38
ENPP3 O14638 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
AURKA O14965 3/20 0.34
AURKB Q96GD4 2/20 0.34
ULK1 O75385 1/20 0.34
RPS6KA5 O75582 1/20 0.34
RPS6KA4 O75676 1/20 0.34
PRKD3 O94806 1/20 0.34
ABL1 P00519 1/20 0.34
FES P07332 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL2204288 0.89 KDR (0.40) KDRENPP3MAPTHPGDGAA
SCHEMBL3777004 0.87 TGFBR1 (0.41) KDRGAAAURKAAURKBULK1
SCHEMBL3702806 0.85 KDR (0.41) KDRENPP3NPSR1TP53THRB
SCHEMBL3700725 0.85 ENPP3 (0.46) KDRENPP3NPSR1THRBMAPT
SCHEMBL3698986 0.85 GAA (0.40) KDRENPP3NPSR1TP53THRB
SCHEMBL3708600 0.84 AURKA (0.48) KDRENPP3NPSR1TP53THRB
SCHEMBL3699255 0.81 KDR (0.49) KDRENPP3NPSR1MAPTPOLB
SCHEMBL3706684 0.81 MAPT (0.42) KDRENPP3NPSR1TP53THRB
SCHEMBL2207977 0.81 ENPP3 (0.46) ENPP3TP53THRBMAPTPOLB
SCHEMBL3695707 0.81 ENPP3 (0.45) ENPP3TP53THRBMAPTPOLB

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 2 patents. 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
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP 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-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDR 644/4885ENPP3 1630/4885NPSR1 2810/4885

“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.