SCHEMBL10100430

SCHEMBL10100430

Cc1cc(C)cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCCC4)c(F)c3F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
TLR7 Q9NYK1 4/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
HTR2C P28335 5/20 0.34
HTR2A P28223 3/20 0.34
HTR2B P41595 3/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.33
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
SYK P43405 1/20 0.33
KCNN4 O15554 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
SCHEMBL10100462 0.99 SMN1; SMN2 (0.37) SMN1; SMN2TLR7PIK3R1PIK3CAESR1
SCHEMBL10100709 0.94 SMN1; SMN2 (0.38) SMN1; SMN2TLR7PIK3R1PIK3CAESR1
SCHEMBL10100724 0.93 SMN1; SMN2 (0.37) SMN1; SMN2TLR7PIK3R1PIK3CAESR1
SCHEMBL10100568 0.92 ALK (0.40) PIK3R1PIK3CAAXLKITKDR
SCHEMBL10100406 0.91 ABL1 (0.37) SMN1; SMN2TLR7PIK3R1PIK3CAESR1
SCHEMBL10100385 0.90 LRRK2 (0.40) SMN1; SMN2TLR7
SCHEMBL10100414 0.90 FLT1 (0.38) SMN1; SMN2TLR7ESR1ESR2HTR2C
SCHEMBL10100437 0.90 ABL1 (0.37) SMN1; SMN2TLR7PIK3R1PIK3CAESR1
SCHEMBL10100582 0.90 ADORA2A (0.39) TLR7PIK3R1PIK3CAESR1ESR2
SCHEMBL10100580 0.90 MCHR1 (0.40) ESR1HTR2CHTR2AHTR2B

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 SMN1; SMN2 3535/4885TLR7 4492/4885PIK3R1 541/4885

“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.