SCHEMBL10100404

SCHEMBL10100404

Nc1ncc(-c2ccc(F)c(Cl)c2)cc1-c1nnnn1-c1ccc(OCCN2CCCCC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
FYN P06241 1/20 0.40
ACVRL1 P37023 2/20 0.39
ACVR1 Q04771 2/20 0.39
BMPR1B O00238 1/20 0.39
MCHR1 Q99705 2/20 0.37
KCNH2 Q12809 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALK Q9UM73 1/20 0.36
EGFR P00533 2/20 0.36
TLR7 Q9NYK1 1/20 0.35
MET P08581 1/20 0.35
HTR2C P28335 2/20 0.35
CSF1R P07333 2/20 0.35
HTR2A P28223 1/20 0.35
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 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
SCHEMBL10100440 0.99 FYN (0.40) AXLFYNACVRL1ACVR1BMPR1B
SCHEMBL10100715 0.93 FYN (0.41) AXLFYNACVRL1ACVR1BMPR1B
SCHEMBL10100560 0.92 ALK (0.44) FYNALKEGFRMETHTR2C
SCHEMBL10100582 0.89 ADORA2A (0.39) FYNMCHR1ESR1ESR2TLR7
SCHEMBL10100406 0.88 ABL1 (0.37) KCNH2ESR1ESR2TLR7HTR2C
SCHEMBL10100414 0.87 FLT1 (0.38) AXLACVRL1ACVR1BMPR1BMCHR1
SCHEMBL10100430 0.87 SMN1; SMN2 (0.39) AXLESR1ESR2TLR7HTR2C
SCHEMBL10100437 0.87 ABL1 (0.37) AXLKCNH2ESR1ESR2TLR7
SCHEMBL10100580 0.87 MCHR1 (0.40) FYNMCHR1ESR1HTR2CHTR2A
SCHEMBL10100747 0.87 ALK (0.45) FYNALKEGFRMETHTR2C

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 AXL 901/4885FYN 532/4885ACVRL1 845/4885

“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.