SCHEMBL10100716

SCHEMBL10100716

Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3cncnc3)cnc2N)c1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
KCNH2 Q12809 1/20 0.36
SRC P12931 1/20 0.36
TLR7 Q9NYK1 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
KDR P35968 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 2/20 0.33
MAP4K4 O95819 1/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
KCNN4 O15554 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL10100437 0.93 ABL1 (0.37) ABL1KCNH2SRCTLR7SMN1; SMN2
SCHEMBL10100748 0.93 ALK (0.39) ABL1PIK3R1PIK3CAKDRAXL
SCHEMBL10100717 0.93 HRH3 (0.36) SRCTLR7SMN1; SMN2PIK3R1PIK3CA
SCHEMBL10100406 0.93 ABL1 (0.37) ABL1KCNH2SRCTLR7SMN1; SMN2
SCHEMBL10100711 0.92 BMPR1B (0.37) SRCTLR7SMN1; SMN2PIK3R1PIK3CA
SCHEMBL10100768 0.92 ADORA2A (0.38) TLR7SMN1; SMN2PIK3R1PIK3CAESR1
SCHEMBL10100724 0.92 SMN1; SMN2 (0.37) TLR7SMN1; SMN2PIK3R1PIK3CAKDR
SCHEMBL10100709 0.91 SMN1; SMN2 (0.38) TLR7SMN1; SMN2PIK3R1PIK3CAKDR
SCHEMBL10100720 0.90 MCHR1 (0.40) SMN1; SMN2MAP4K4ESR1AXLMERTK
SCHEMBL10100767 0.89 MCHR1 (0.40) ESR1HTR2AHTR2CHTR2B

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-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

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 ABL1 3/4885KCNH2 3514/4885SRC 87/4885

“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.