SCHEMBL3705641

SCHEMBL3705641

Cc1ccc(C(F)(F)F)c(NC(=O)Nc2cccc3c2ccn3Cc2ccnc3[nH]ccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.40
PRKD3 O94806 2/20 0.39
CDK1 P06493 2/20 0.39
CDK2 P24941 2/20 0.39
FLT4 P35916 2/20 0.39
CSNK2A1 P68400 2/20 0.39
CDK5 Q00535 2/20 0.39
STK3 Q13188 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
FLT3 P36888 2/20 0.39
PRKCG P05129 1/20 0.39
FRK P42685 1/20 0.39
CDK8 P49336 1/20 0.39
ACVR1 Q04771 1/20 0.39
MST1R Q04912 1/20 0.39
PTK6 Q13882 1/20 0.39
PIM3 Q86V86 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL15054054 0.92 PRKD3 (0.38) KLKB1PRKD3CDK1CDK2FLT4
SCHEMBL3696951 0.91 TRPV1 (0.46) KLKB1PRKD3CDK1CDK2FLT4
SCHEMBL3697706 0.90 KDR (0.44) FLT4FLT3BRAFKDRFLT1
Hydrochloric Acid SCHEMBL3702053 0.90 TRPV1 (0.45) KLKB1PRKD3CDK1CDK2FLT4
SCHEMBL27807407 0.89 KLKB1 (0.37) KLKB1BRAFTRPV1CITKDR
SCHEMBL3703394 0.89 BRAF (0.38) PRKD3CDK1CDK2FLT4CSNK2A1
SCHEMBL3698926 0.88 BRAF (0.43) KLKB1BRAFTRPV1CITKDR
SCHEMBL3703557 0.88 BRAF (0.36) KLKB1AURKBBRAFTRPV1KDR
Hydrochloric Acid SCHEMBL3704138 0.88 BRAF (0.35) KLKB1AURKBBRAFKDRFLT1
SCHEMBL3700209 0.87 PKM (0.44) TP53EPHB4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US claimed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US claimed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 KLKB1 2445/4885PRKD3 651/4885CDK1 115/4885

“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.