SCHEMBL4089510

SCHEMBL4089510

CN1CCC(n2cc(-c3cnc(N)c(C=O)c3)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.55
NTRK1 P04629 1/20 0.52
FGFR1 P11362 3/20 0.52
FGFR2 P21802 3/20 0.52
FGFR3 P22607 3/20 0.52
AXL P30530 2/20 0.49
MERTK Q12866 2/20 0.49
BMPR1A P36894 1/20 0.48
ACVRL1 P37023 1/20 0.48
ACVR1 Q04771 1/20 0.48
MAP4K3 Q8IVH8 4/20 0.45
EGFR P00533 2/20 0.45
WNT1 P04628 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL18616304 0.85 MAP4K3 (0.60) METNTRK1MAP4K3JAK2
SCHEMBL30388408 0.82 MET (0.55) METNTRK1FGFR1FGFR2FGFR3
SCHEMBL21776509 0.82 MET (0.55) METNTRK1FGFR1FGFR2FGFR3
SCHEMBL29914439 0.82 MET (0.55) METNTRK1FGFR1FGFR2FGFR3
SCHEMBL23617090 0.82 MET (0.55) METNTRK1FGFR1FGFR2FGFR3
SCHEMBL2680817 0.82 MET (0.49) METFGFR1FGFR2FGFR3MAP4K3
SCHEMBL2386565 0.81 AXL (0.59) METNTRK1FGFR1FGFR2FGFR3
SCHEMBL18615853 0.81 AXL (0.57) METNTRK1FGFR1FGFR2FGFR3
SCHEMBL992793 0.80 MAP4K3 (0.43) METAXLMERTKMAP4K3JAK2
SCHEMBL992070 0.80 ERN1 (0.55) METFGFR1FGFR2FGFR3MERTK

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-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 MET 3052/4885NTRK1 2179/4885FGFR1 936/4885

“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.