SCHEMBL3777004

SCHEMBL3777004

Cc1cccc(-c2nnc(Nc3ccc(Sc4ccnc5ccoc45)cc3)c3ccccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.41
KDR P35968 5/20 0.39
MAPK14 Q16539 3/20 0.38
FLT1 P17948 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
GAA P10253 1/20 0.34
AURKA O14965 1/20 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
BCR P11274 1/20 0.34
BRAF P15056 1/20 0.34
NQO2 P16083 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
CLK1 P49759 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
SCHEMBL3701591 0.87 KDR (0.38) KDRMAPK14FLT1GAAAURKA
SCHEMBL15663781 0.85 KDR (0.46) TGFBR1KDRMAPK14FLT1AURKA
SCHEMBL3700725 0.85 ENPP3 (0.46) KDRGAAAURKABRAFAURKB
SCHEMBL3698986 0.85 GAA (0.40) KDRGAAAURKA
SCHEMBL2204288 0.84 KDR (0.40) TGFBR1KDRFLT1GAARET
SCHEMBL3708600 0.82 AURKA (0.48) KDRMAPK14FLT1GAAAURKA
SCHEMBL15663334 0.82 TGFBR1 (0.38) TGFBR1KDRMAPK14AURKAULK1
SCHEMBL3699255 0.81 KDR (0.49) KDRFLT1GAABRAFALDH1A1
SCHEMBL2207977 0.81 ENPP3 (0.46) GAA
SCHEMBL3695707 0.81 ENPP3 (0.45)

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 TGFBR1 1344/4885KDR 644/4885MAPK14 780/4885

“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.