SCHEMBL10100751

SCHEMBL10100751

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALK Q9UM73 1/20 0.39
LRRK2 Q5S007 6/20 0.39
KIT P10721 2/20 0.38
PIK3CA P42336 2/20 0.38
MET P08581 1/20 0.38
AXL P30530 1/20 0.37
PIK3R1 P27986 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
P2RX7 Q99572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SYK P43405 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
SCHEMBL10100568 0.94 ALK (0.40) POLBALKLRRK2KITPIK3CA
SCHEMBL10100724 0.93 SMN1; SMN2 (0.37) KITPIK3CAAXLPIK3R1KDR
SCHEMBL10100748 0.92 ALK (0.39) POLBALKLRRK2KITPIK3CA
SCHEMBL10100778 0.92 LRRK2 (0.42) ALKLRRK2KITPIK3CAMET
SCHEMBL10100709 0.92 SMN1; SMN2 (0.38) KITPIK3CAAXLPIK3R1KDR
SCHEMBL10100776 0.92 NTRK1 (0.40) POLBALKLRRK2KITPIK3CA
SCHEMBL10100706 0.91 MET (0.40) ALKLRRK2KITPIK3CAMET
SCHEMBL10100779 0.90 MET (0.43) ALKLRRK2KITPIK3CAMET
SCHEMBL10100756 0.89 KDR (0.40) POLBALKLRRK2KITPIK3CA
SCHEMBL10100742 0.89 KIT (0.36) POLBALKLRRK2KITPIK3CA

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 2 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US 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 POLB 2741/4885ALK 107/4885LRRK2 856/4885

“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.