SCHEMBL10100748

SCHEMBL10100748

Cc1c(OCCN2CCOCC2)ccc(-n2nnnc2-c2cc(-c3cncnc3)cnc2N)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.39
LRRK2 Q5S007 6/20 0.39
ABL1 P00519 1/20 0.39
KIT P10721 1/20 0.38
MET P08581 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3R1 P27986 1/20 0.37
KDR P35968 1/20 0.37
P2RX7 Q99572 1/20 0.36
POLB P06746 1/20 0.36
AXL P30530 1/20 0.36
P2RY12 Q9H244 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35

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
SCHEMBL10100561 0.94 ABL1 (0.39) ALKLRRK2ABL1KITMET
SCHEMBL10100776 0.93 NTRK1 (0.40) ALKLRRK2KITMETPIK3CA
SCHEMBL10100716 0.93 ABL1 (0.36) ABL1PIK3CAPIK3R1KDRAXL
SCHEMBL10100751 0.92 POLB (0.40) ALKLRRK2KITMETPIK3CA
SCHEMBL10100778 0.92 LRRK2 (0.42) ALKLRRK2KITMETPIK3CA
SCHEMBL10100706 0.91 MET (0.40) ALKLRRK2KITMETPIK3CA
SCHEMBL10100779 0.90 MET (0.43) ALKLRRK2KITMETPIK3CA
SCHEMBL10100756 0.89 KDR (0.40) ALKLRRK2KITMETPIK3CA
SCHEMBL10100747 0.89 ALK (0.45) ALKLRRK2KITMETKDR
SCHEMBL10100777 0.89 SMN1; SMN2 (0.42) ALKLRRK2KITMETKDR

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 ALK 107/4885LRRK2 856/4885ABL1 3/4885

“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.