SCHEMBL6112342

SCHEMBL6112342

Brc1cccc(-c2nn3c(NC4CC4)cccc3c2-c2ccnc(NC3CCCC3)n2)c1.CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(NC4CC4)cccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
MERTK Q12866 2/20 0.41
CSNK1D P48730 1/20 0.40
MAPK14 Q16539 5/20 0.39
AXL P30530 2/20 0.39
CDK4 P11802 1/20 0.38
MAPK10 P53779 2/20 0.38

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
SCHEMBL5453421 0.91 MERTK (0.45) KDRMERTKCSNK1DMAPK14AXL
SCHEMBL5449738 0.89 KDR (0.46) KDRMERTKCSNK1DMAPK14AXL
SCHEMBL5451180 0.88 KDR (0.49) KDRMERTKCSNK1DMAPK14AXL
SCHEMBL5449793 0.86 KDR (0.46) KDRMERTKCSNK1DMAPK14AXL
SCHEMBL6106623 0.86 TP53 (0.45) KDRMAPK14CDK4MAPK10
SCHEMBL6107167 0.86 TP53 (0.45) KDRMAPK14CDK4MAPK10
SCHEMBL6106982 0.85 TP53 (0.46) KDRCSNK1DCDK4MAPK10
SCHEMBL5456838 0.84 CSNK1D (0.51) CSNK1DMAPK14CDK4MAPK10
SCHEMBL5462491 0.84 CSNK1D (0.51) CSNK1DMAPK14CDK4MAPK10
SCHEMBL6105297 0.84 CDK4 (0.47) KDRCSNK1DMAPK14CDK4MAPK10

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-7153855-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US disclosed
US-20050049260-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-03 US 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-20050049260-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 KDR 4025/4885MERTK 3802/4885CSNK1D 573/4885

“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.