SCHEMBL10100641

SCHEMBL10100641

Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OC4CCCNC4)c(F)c3F)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.42
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
LRRK2 Q5S007 2/20 0.38
MAP4K3 Q8IVH8 2/20 0.38
PIM1 P11309 3/20 0.38
PIM3 Q86V86 3/20 0.38
CHEK2 O96017 2/20 0.38
LCK P06239 2/20 0.38
LYN P07948 2/20 0.38
RPS6KB1 P23443 2/20 0.38
FLT3 P36888 2/20 0.38
BLK P51451 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
PIM2 Q9P1W9 1/20 0.37
MET P08581 1/20 0.36
FGFR1 P11362 2/20 0.36
FGFR2 P21802 2/20 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
SCHEMBL10100381 0.91 MAP4K3 (0.42) LRRK2MAP4K3FLT3METFGFR1
SCHEMBL10100705 0.91 LRRK2 (0.41) LRRK2MAP4K3METFGFR1FGFR2
SCHEMBL10100632 0.89 ALOX5AP (0.46) CHEK1ALOX5APFEN1PIM1PIM3
SCHEMBL10100638 0.87 LRRK2 (0.38) LRRK2MAP4K3METFGFR1FGFR2
SCHEMBL10100636 0.87 ALOX5AP (0.40) CHEK1ALOX5APFEN1MAP4K3ATR
SCHEMBL10100637 0.87 ALOX5AP (0.40) CHEK1ALOX5APFEN1CHEK2ATR
SCHEMBL10100639 0.86 LRRK2 (0.40) LRRK2METFGFR1FGFR2FGFR3
SCHEMBL2356833 0.85 LRRK2 (0.39) LRRK2MAP4K3METFGFR1FGFR2
SCHEMBL2358758 0.85 LRRK2 (0.39) LRRK2METFGFR1FGFR2FGFR3
Hydrochloric Acid SCHEMBL2357336 0.85 LRRK2 (0.39) LRRK2METFGFR1FGFR2FGFR3

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 CHEK1 97/4885ALOX5AP 4425/4885FEN1 1255/4885

“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.