SCHEMBL10100758

SCHEMBL10100758

CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN(CC)CC)c(C)c3F)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.37
JAK2 O60674 2/20 0.35
MAPK1 P28482 3/20 0.34
KCNN4 O15554 2/20 0.33
MET P08581 4/20 0.32
IKBKE Q14164 4/20 0.32
TBK1 Q9UHD2 4/20 0.32
FGFR1 P11362 2/20 0.31
SRC P12931 2/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
ROCK2 O75116 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
INSR P06213 1/20 0.31
FYN P06241 1/20 0.31
FES P07332 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL10100572 0.95 LRRK2 (0.37) LRRK2JAK2MAPK1KCNN4MET
SCHEMBL10100761 0.93 JAK2 (0.36) LRRK2JAK2MAPK1KCNN4MET
SCHEMBL10100760 0.91 LRRK2 (0.36) LRRK2JAK2MAPK1KCNN4MET
SCHEMBL10100393 0.88 LRRK2 (0.38) LRRK2JAK2MAPK1KCNN4MET
SCHEMBL10100574 0.87 JAK2 (0.37) LRRK2JAK2MAPK1KCNN4MET
SCHEMBL10100764 0.86 KCNN4 (0.34) JAK2KCNN4FGFR1SRCFYN
SCHEMBL10100521 0.86 FYN (0.38) LRRK2JAK2MAPK1KCNN4MET
SCHEMBL10100759 0.86 IKBKE (0.39) LRRK2METIKBKETBK1FGFR1
SCHEMBL10100573 0.86 LRRK2 (0.36) LRRK2JAK2MAPK1KCNN4MET
SCHEMBL10100780 0.84 KCNN4 (0.42) KCNN4FYN

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 LRRK2 856/4885JAK2 59/4885MAPK1 357/4885

“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.