SCHEMBL10100515

SCHEMBL10100515

CN(C)CCCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C)c3)cnc2N)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.41
FYN P06241 2/20 0.40
FGFR1 P11362 3/20 0.38
FGFR2 P21802 3/20 0.38
FGFR3 P22607 3/20 0.38
CHEK2 O96017 1/20 0.38
MAPK1 P28482 5/20 0.37
MAP4K4 O95819 1/20 0.36
MET P08581 4/20 0.35
KIT P10721 1/20 0.34
FGFR4 P22455 1/20 0.34
KDR P35968 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
SCHEMBL10100656 0.98 LRRK2 (0.40) LRRK2FYNFGFR1FGFR2FGFR3
SCHEMBL2358505 0.97 LRRK2 (0.42) LRRK2FYNFGFR1FGFR2FGFR3
SCHEMBL10100521 0.91 FYN (0.38) LRRK2FYNFGFR1FGFR2FGFR3
SCHEMBL10100468 0.89 LRRK2 (0.41) LRRK2FGFR1FGFR2FGFR3MAPK1
SCHEMBL10100534 0.89 JAK2 (0.37) LRRK2FYNFGFR1FGFR2FGFR3
SCHEMBL10100517 0.88 MET (0.37) LRRK2FYNFGFR1FGFR2FGFR3
SCHEMBL10100542 0.88 FYN (0.44) FYNCHEK2KDR
SCHEMBL10100677 0.88 LRRK2 (0.40) LRRK2FGFR1FGFR2FGFR3MAPK1
SCHEMBL2356890 0.88 LRRK2 (0.40) LRRK2FGFR1FGFR2FGFR3MAPK1
Hydrochloric Acid SCHEMBL2358908 0.87 LRRK2 (0.39) LRRK2FGFR1FGFR2FGFR3MAPK1

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 LRRK2 856/4885FYN 532/4885FGFR1 133/4885

“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.