SCHEMBL3702806

SCHEMBL3702806

Cc1ccc(-c2nnc(Nc3ccc(Sc4ccnc5ccncc45)cc3)c3ccccc23)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.41
ENPP3 O14638 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
AURKA O14965 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
SCHEMBL3711144 0.89 KDR (0.48) KDRENPP3
SCHEMBL3701300 0.85 ENPP3 (0.47) KDRENPP3NPSR1THRBKDM4E
SCHEMBL3701591 0.85 KDR (0.38) KDRENPP3NPSR1TP53THRB
SCHEMBL3696177 0.84 AURKA (0.49) KDRENPP3NPSR1TP53THRB
SCHEMBL3707893 0.83 AURKA (0.42) KDRMAPTAURKA
SCHEMBL3711392 0.82 KDR (0.51) KDRENPP3NPSR1KDM4EALDH1A1
SCHEMBL15663972 0.82 KDR (0.43) KDRENPP3KDM4EALDH1A1MAPT
SCHEMBL3699709 0.78 MAPT (0.49) KDRNPSR1TP53KDM4EALDH1A1
SCHEMBL1396119 0.77 KDR (0.37) KDRENPP3NPSR1TP53THRB
SCHEMBL2210377 0.77 ENPP3 (0.50) KDRENPP3NPSR1THRBKDM4E

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.