SCHEMBL3704158

SCHEMBL3704158

Cc1noc(-c2cc3nccc(Oc4ccc(Nc5nnc(-c6ccc(Cl)cc6)c6ccccc56)cc4)c3s2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
AURKA O14965 4/20 0.41
AURKB Q96GD4 3/20 0.41
TPX2 Q9ULW0 2/20 0.41
ULK1 O75385 1/20 0.41
RPS6KA5 O75582 1/20 0.41
RPS6KA4 O75676 1/20 0.41
PRKD3 O94806 1/20 0.41
ABL1 P00519 1/20 0.41
FES P07332 1/20 0.41
RET P07949 1/20 0.41
BCR P11274 1/20 0.41
BRAF P15056 1/20 0.41
NQO2 P16083 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
MAP2K1 Q02750 1/20 0.41

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
SCHEMBL3706066 0.94 AURKA (0.46) KDRAURKAAURKBTPX2ULK1
SCHEMBL3699814 0.85 ENPP3 (0.41) KDRRETDDR1ENPP3MAPT
SCHEMBL3693729 0.81 KDR (0.42) KDRAURKAAURKBTPX2ULK1
SCHEMBL2207192 0.79 ALDH1A1 (0.40) KDRAURKAAURKBTPX2ULK1
SCHEMBL2209159 0.78 KDR (0.50) KDRAURKAAURKBTPX2ENPP3
SCHEMBL3701553 0.77 KDR (0.51) KDRENPP3MAPTTP53POLB
SCHEMBL3702833 0.77 KDR (0.50) KDRAURKAAURKBTPX2ENPP3
SCHEMBL3697375 0.76 AURKA (0.47) KDRAURKAAURKBTPX2ULK1
SCHEMBL15663382 0.75 MAPT (0.54) KDRENPP3MAPTTP53LMNA
SCHEMBL2209315 0.75 MAPT (0.54) KDRENPP3MAPTTP53LMNA

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 644/4885AURKA 2/4885AURKB 4/4885

“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.