SCHEMBL10100592

SCHEMBL10100592

Nc1ncc(-c2ccncc2)cc1-c1nnnn1-c1ccc(OCCN2CCOCC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
MET P08581 1/20 0.40
FLT3 P36888 4/20 0.40
PRKAB2 O43741 2/20 0.40
LCK P06239 2/20 0.40
SRC P12931 2/20 0.40
FLT1 P17948 2/20 0.40
EPHA2 P29317 2/20 0.40
KDR P35968 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40
RPS6KA1 Q15418 2/20 0.40
MKNK1 Q9BUB5 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
BMP4 P12644 1/20 0.40
FLT4 P35916 1/20 0.40
LRRK2 Q5S007 7/20 0.39

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
SCHEMBL10100776 0.94 NTRK1 (0.40) NTRK1METFLT3PRKAB2LCK
SCHEMBL10100561 0.93 ABL1 (0.39) NTRK1METFLT3KDRLRRK2
SCHEMBL10100594 0.93 MET (0.42) METLRRK2ALKKITOXTR
SCHEMBL10100442 0.93 BMPR1B (0.37) NTRK1PRKAB2LCKSRCFLT1
SCHEMBL10100414 0.92 FLT1 (0.38) NTRK1PRKAB2LCKSRCFLT1
SCHEMBL10100568 0.91 ALK (0.40) NTRK1METFLT3KDRLRRK2
SCHEMBL10100569 0.90 KDR (0.41) NTRK1METFLT1KDRFLT4
SCHEMBL10100596 0.90 MET (0.43) METPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10100384 0.89 MET (0.41) METFLT3PRKAB2LCKSRC
SCHEMBL10100560 0.88 ALK (0.44) METFLT3KDRLRRK2ALK

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 NTRK1 648/4885MET 1/4885FLT3 50/4885

“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.