SCHEMBL10100677

SCHEMBL10100677

Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN4CCCC4)c(F)c3F)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.40
CYP3A4 P08684 2/20 0.37
KDR P35968 2/20 0.37
MAPK1 P28482 4/20 0.36
FGFR1 P11362 4/20 0.36
FGFR2 P21802 3/20 0.36
FGFR3 P22607 3/20 0.36
MAP4K4 O95819 1/20 0.35
LCK P06239 1/20 0.35
CSF1R P07333 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT3 P36888 1/20 0.35
MET P08581 2/20 0.35
HTR3A P46098 2/20 0.35
BTK Q06187 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
SCHEMBL10100676 0.99 LRRK2 (0.39) LRRK2CYP3A4KDRMAPK1FGFR1
SCHEMBL10100681 0.98 LRRK2 (0.39) LRRK2CYP3A4KDRMAPK1FGFR1
SCHEMBL10100678 0.97 LRRK2 (0.39) LRRK2CYP3A4KDRMAPK1FGFR1
SCHEMBL10100389 0.96 LRRK2 (0.41) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100385 0.95 LRRK2 (0.40) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100682 0.93 LRRK2 (0.40) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100684 0.92 JAK2 (0.36) LRRK2CYP3A4KDRMAPK1FGFR1
SCHEMBL10100689 0.91 JAK2 (0.36) LRRK2CYP3A4KDRMAPK1FGFR1
SCHEMBL10100679 0.91 LRRK2 (0.39) LRRK2MET
SCHEMBL10100671 0.90 JAK2 (0.38) LRRK2CYP3A4KDRMAPK1FGFR1

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 856/4885CYP3A4 4344/4885KDR 213/4885

“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.