SCHEMBL10100561

SCHEMBL10100561

Nc1ncc(-c2cncnc2)cc1-c1nnnn1-c1ccc(OCCN2CCOCC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
MET P08581 1/20 0.39
ALK Q9UM73 2/20 0.39
LRRK2 Q5S007 6/20 0.38
KIT P10721 2/20 0.38
PIK3CA P42336 2/20 0.36
PIK3R1 P27986 1/20 0.36
KDR P35968 2/20 0.36
NTRK1 P04629 1/20 0.35
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL10100748 0.94 ALK (0.39) ABL1METALKLRRK2KIT
SCHEMBL10100592 0.93 NTRK1 (0.41) METALKLRRK2KITPIK3CA
SCHEMBL10100437 0.93 ABL1 (0.37) ABL1PIK3CAPIK3R1KDRAXL
SCHEMBL10100594 0.92 MET (0.42) METALKLRRK2KITPIK3CA
SCHEMBL10100406 0.92 ABL1 (0.37) ABL1PIK3CAPIK3R1KDRHTR2C
SCHEMBL10100568 0.91 ALK (0.40) METALKLRRK2KITPIK3CA
SCHEMBL10100384 0.90 MET (0.41) METALKLRRK2KITPIK3CA
SCHEMBL10100569 0.89 KDR (0.41) METALKLRRK2KITPIK3CA
SCHEMBL10100596 0.89 MET (0.43) METALKLRRK2KITPIK3CA
SCHEMBL10100560 0.88 ALK (0.44) METALKLRRK2KITKDR

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 ABL1 3/4885MET 1/4885ALK 107/4885

“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.