SCHEMBL10100399

SCHEMBL10100399

Cc1ccc(C)c(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCC4)c(F)c3F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MCHR1 Q99705 1/20 0.38
KDR P35968 2/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
HTT P42858 2/20 0.36
SRC P12931 2/20 0.35
PDGFRB P09619 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR7 Q9NYK1 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 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
SCHEMBL10100420 0.99 SMN1; SMN2 (0.43) SMN1; SMN2MCHR1KDRKITFLT3
SCHEMBL10100712 0.94 SMN1; SMN2 (0.43) SMN1; SMN2MCHR1KDRKITFLT3
SCHEMBL10100462 0.90 SMN1; SMN2 (0.37) SMN1; SMN2KDRKITFLT3HTT
SCHEMBL10100430 0.89 SMN1; SMN2 (0.39) SMN1; SMN2KDRKITFLT3HTT
SCHEMBL10100581 0.88 MCHR1 (0.40) SMN1; SMN2MCHR1KDRKITFLT3
SCHEMBL10100437 0.87 ABL1 (0.37) SMN1; SMN2KDRHTTSRCKDM4E
SCHEMBL10100582 0.87 ADORA2A (0.39) MCHR1TLR7HTR2AHTR2CESR1
SCHEMBL10100389 0.86 LRRK2 (0.41) KITTLR7
SCHEMBL10100406 0.86 ABL1 (0.37) SMN1; SMN2KDRHTTSRCKDM4E
SCHEMBL10100442 0.86 BMPR1B (0.37) SMN1; SMN2MCHR1KDRSRCKDM4E

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 3535/4885MCHR1 1746/4885KDR 213/4885

“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.