SCHEMBL3706000

SCHEMBL3706000

COCCOCCn1c(=O)ccc2nccc(Sc3ccc(Nc4nnc(-c5ccc(Cl)cc5)c5ccccc45)cc3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.44
ENPP3 O14638 4/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 7/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 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
SCHEMBL3714138 0.84 KDR (0.47) KDRENPP3LMNAALDH1A1MAPT
SCHEMBL2210067 0.82 KDR (0.45) KDRENPP3LMNAALDH1A1MAPT
SCHEMBL15663423 0.81 KDR (0.45) KDRENPP3LMNAALDH1A1MAPT
SCHEMBL2209118 0.79 KDR (0.47) KDRENPP3LMNAALDH1A1MAPT
SCHEMBL2210612 0.78 KDR (0.47) KDRENPP3LMNAALDH1A1MAPT
SCHEMBL3698536 0.76 KDR (0.46) KDRENPP3LMNAALDH1A1CYP1A2
SCHEMBL15663807 0.75 KDR (0.53) KDRENPP3LMNAALDH1A1CYP1A2
SCHEMBL2207259 0.75 MAPT (0.52) KDRENPP3LMNAALDH1A1USP2
SCHEMBL15663371 0.74 KDR (0.50) KDRENPP3LMNAALDH1A1USP2
SCHEMBL15663377 0.73 KDR (0.51) KDRENPP3LMNAALDH1A1USP2

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 KDR 644/4885ENPP3 1630/4885LMNA 796/4885

“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.