SCHEMBL10100568

SCHEMBL10100568

Cc1cc(C)cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCOCC4)c(F)c3F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.40
LRRK2 Q5S007 6/20 0.39
KIT P10721 2/20 0.39
POLB P06746 1/20 0.39
PIK3CA P42336 3/20 0.38
MET P08581 1/20 0.38
AXL P30530 1/20 0.37
PIK3R1 P27986 2/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SYK P43405 1/20 0.37
NTRK1 P04629 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL10100751 0.94 POLB (0.40) ALKLRRK2KITPOLBPIK3CA
SCHEMBL10100462 0.93 SMN1; SMN2 (0.37) KITPIK3CAAXLPIK3R1KDR
SCHEMBL10100430 0.92 SMN1; SMN2 (0.39) KITPIK3CAAXLPIK3R1KDR
SCHEMBL10100594 0.91 MET (0.42) ALKLRRK2KITPIK3CAMET
SCHEMBL10100561 0.91 ABL1 (0.39) ALKLRRK2KITPIK3CAMET
SCHEMBL10100384 0.91 MET (0.41) ALKLRRK2KITPIK3CAMET
SCHEMBL10100592 0.91 NTRK1 (0.41) ALKLRRK2KITPIK3CAMET
SCHEMBL10100596 0.90 MET (0.43) ALKLRRK2KITPIK3CAMET
SCHEMBL10100559 0.89 KIT (0.37) ALKLRRK2KITPOLBPIK3CA
SCHEMBL10100569 0.88 KDR (0.41) ALKLRRK2KITPIK3CAMET

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 ALK 107/4885LRRK2 856/4885KIT 69/4885

“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.