SCHEMBL10100440

SCHEMBL10100440

Nc1ncc(-c2ccc(F)c(Cl)c2)cc1-c1nnnn1-c1ccc(OCCN2CCCC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.40
AXL P30530 1/20 0.39
MCHR1 Q99705 3/20 0.38
ACVRL1 P37023 2/20 0.37
ACVR1 Q04771 2/20 0.37
BMPR1B O00238 1/20 0.37
ALK Q9UM73 1/20 0.36
MET P08581 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
CSF1R P07333 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
EGFR P00533 2/20 0.35
RPS6KB1 P23443 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
SCHEMBL10100404 0.99 AXL (0.40) FYNAXLMCHR1ACVRL1ACVR1
SCHEMBL10100715 0.94 FYN (0.41) FYNAXLMCHR1ACVRL1ACVR1
SCHEMBL10100560 0.93 ALK (0.44) FYNALKMETHTR2AHTR2C
SCHEMBL10100582 0.90 ADORA2A (0.39) FYNMCHR1TLR7HTR2AHTR2C
SCHEMBL10100437 0.88 ABL1 (0.37) AXLTLR7KCNH2ESR1ESR2
SCHEMBL10100747 0.87 ALK (0.45) FYNALKMETHTR2AHTR2C
SCHEMBL10100406 0.87 ABL1 (0.37) TLR7HTR2AHTR2CKCNH2ESR1
SCHEMBL10100442 0.87 BMPR1B (0.37) FYNAXLMCHR1ACVRL1ACVR1
SCHEMBL10100462 0.87 SMN1; SMN2 (0.37) AXLTLR7HTR2AHTR2CESR1
SCHEMBL10100453 0.87 MCHR1 (0.41) FYNMCHR1TLR7HTR2CESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 WO 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 FYN 532/4885AXL 901/4885MCHR1 1746/4885

“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.