SCHEMBL10100569

SCHEMBL10100569

Nc1ncc(-c2ccsc2)cc1-c1nnnn1-c1ccc(OCCN2CCOCC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
EPHX2 P34913 1/20 0.40
ALK Q9UM73 1/20 0.37
MET P08581 1/20 0.37
LRRK2 Q5S007 6/20 0.36
KIT P10721 1/20 0.36
PIK3CA P42336 2/20 0.35
CHEK2 O96017 2/20 0.34
AXL P30530 1/20 0.34
NTRK1 P04629 1/20 0.34
GAK O14976 1/20 0.33
PIK3R1 P27986 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
SCHEMBL10100756 0.94 KDR (0.40) KDRFLT1FLT4EPHX2ALK
SCHEMBL10100592 0.90 NTRK1 (0.41) KDRFLT1FLT4ALKMET
SCHEMBL10100594 0.89 MET (0.42) ALKMETLRRK2KITPIK3CA
SCHEMBL10100561 0.89 ABL1 (0.39) KDRALKMETLRRK2KIT
SCHEMBL10100568 0.88 ALK (0.40) KDRALKMETLRRK2KIT
SCHEMBL10100384 0.87 MET (0.41) KDRFLT1ALKMETLRRK2
SCHEMBL10100559 0.87 KIT (0.37) KDRFLT1ALKMETLRRK2
SCHEMBL10100596 0.86 MET (0.43) ALKMETLRRK2KITPIK3CA
SCHEMBL10100560 0.86 ALK (0.44) KDRALKMETLRRK2KIT
SCHEMBL10100567 0.85 MET (0.36) KDRALKMETLRRK2KIT

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 KDR 213/4885FLT1 130/4885FLT4 202/4885

“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.