SCHEMBL10100423

SCHEMBL10100423

Nc1ncc(-c2cc3ccccc3s2)cc1-c1nnnn1-c1ccc(OCCN2CCCCC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.41
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
BACE1 P56817 2/20 0.34
AXL P30530 1/20 0.33
MCHR1 Q99705 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
LTA4H P09960 3/20 0.32
TBK1 Q9UHD2 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
OPRK1 P41145 1/20 0.32
NEK2 P51955 1/20 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
SCHEMBL10100446 0.99 FYN (0.42) FYNNOS3NOS1NOS2BACE1
SCHEMBL10100710 0.94 FYN (0.42) FYNNOS3NOS1NOS2BACE1
SCHEMBL10100718 0.94 FYN (0.42) FYNNOS3NOS1NOS2BACE1
SCHEMBL10100566 0.93 FYN (0.40) FYNLTA4HHTR2CNEK2
SCHEMBL10100753 0.87 FYN (0.41) FYNLTA4HHTR2CNEK2
SCHEMBL10100586 0.87 FYN (0.45) FYNNOS3NOS1NOS2TLR7
SCHEMBL10100506 0.85 FYN (0.44) FYNTBK1
SCHEMBL10100549 0.85 FYN (0.44) FYNNOS3NOS1NOS2HRH3
SCHEMBL10100450 0.85 NOS3 (0.36) NOS3NOS1NOS2BACE1AXL
SCHEMBL10100406 0.84 ABL1 (0.37) NOS3NOS1NOS2TLR7LTA4H

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 FYN 532/4885NOS3 2062/4885NOS1 2038/4885

“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.