SCHEMBL10100437

SCHEMBL10100437

Nc1ncc(-c2cncnc2)cc1-c1nnnn1-c1ccc(OCCN2CCCC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.37
KCNH2 Q12809 1/20 0.37
TLR7 Q9NYK1 4/20 0.36
SRC P12931 1/20 0.35
MAP4K4 O95819 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDR P35968 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
LTA4H P09960 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HTT P42858 1/20 0.32
AXL P30530 2/20 0.32

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
SCHEMBL10100406 0.99 ABL1 (0.37) ABL1KCNH2TLR7SRCMAP4K4
SCHEMBL10100716 0.93 ABL1 (0.36) ABL1KCNH2TLR7SRCMAP4K4
SCHEMBL10100561 0.93 ABL1 (0.39) ABL1PIK3R1PIK3CAKDRAXL
SCHEMBL10100442 0.92 BMPR1B (0.37) TLR7SRCSMN1; SMN2KDRESR1
SCHEMBL10100414 0.92 FLT1 (0.38) TLR7SRCSMN1; SMN2KDRESR1
SCHEMBL10100582 0.92 ADORA2A (0.39) TLR7MAP4K4PIK3R1PIK3CAESR1
SCHEMBL10100462 0.91 SMN1; SMN2 (0.37) TLR7PIK3R1PIK3CASMN1; SMN2KDR
SCHEMBL10100430 0.90 SMN1; SMN2 (0.39) TLR7PIK3R1PIK3CASMN1; SMN2KDR
SCHEMBL10100389 0.89 LRRK2 (0.41) TLR7MAP4K4
SCHEMBL10100453 0.89 MCHR1 (0.41) TLR7MAP4K4SMN1; SMN2ESR1

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 ABL1 3/4885KCNH2 3514/4885TLR7 4492/4885

“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.