SCHEMBL10100581

SCHEMBL10100581

Cc1cccc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCC4)c(F)c3F)c2)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
KCNN4 O15554 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 1/20 0.34
SRC P12931 3/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL10100769 0.95 MCHR1 (0.39) MCHR1GRIN1GRIN2BTDP1SMN1; SMN2
SCHEMBL10100591 0.93 SMN1; SMN2 (0.40) SMN1; SMN2KITKDRFLT3HTR2A
SCHEMBL10100777 0.89 SMN1; SMN2 (0.42) SMN1; SMN2KITKDRFLT3HTR2A
SCHEMBL10100411 0.88 KCNN4 (0.41) MCHR1SMN1; SMN2KCNN4HTR2AHTR2C
SCHEMBL10100399 0.88 SMN1; SMN2 (0.42) MCHR1TDP1SMN1; SMN2KITKDR
SCHEMBL10100420 0.88 SMN1; SMN2 (0.43) MCHR1SMN1; SMN2KITKDRFLT3
SCHEMBL10100583 0.87 KCNN4 (0.37) GRIN1GRIN2BKDRNOS3NOS1
SCHEMBL10100462 0.87 SMN1; SMN2 (0.37) TDP1SMN1; SMN2KITKDRFLT3
SCHEMBL10100430 0.86 SMN1; SMN2 (0.39) SMN1; SMN2KITKDRFLT3KCNN4
SCHEMBL10100582 0.86 ADORA2A (0.39) MCHR1HTR2AHTR2CHTR2BTLR7

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 MCHR1 1746/4885GRIN1 2831/4885GRIN2B 3446/4885

“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.