SCHEMBL13835189

SCHEMBL13835189

OCCCn1cc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.44
TGFBR1 P36897 5/20 0.40
MAP4K4 O95819 1/20 0.40
MAPK1 P28482 1/20 0.40
MET P08581 9/20 0.38
PDK2 Q15119 3/20 0.37
FEN1 P39748 1/20 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
SCHEMBL2327513 0.88 MET (0.42) TGFBR1METPDK2FEN1
SCHEMBL2323346 0.87 FEN1 (0.47) TGFBR1MAP4K4METPDK2FEN1
SCHEMBL13835252 0.86 PDK2 (0.40) TGFBR1MAP4K4PDK2
SCHEMBL12440239 0.86 MET (0.40) TGFBR1MAP4K4MAPK1MET
SCHEMBL2324722 0.86 CYP11B2 (0.40) TGFBR1MAP4K4MAPK1FEN1
SCHEMBL19791355 0.86 MET (0.42) TGFBR1MAP4K4METPDK2FEN1
SCHEMBL2325268 0.85 PDK2 (0.42) NTRK1TGFBR1METPDK2FEN1
SCHEMBL2325058 0.82 TGFBR1 (0.41) TGFBR1MAP4K4MET
SCHEMBL12524283 0.82 TGFBR1 (0.41) NTRK1TGFBR1MAP4K4MAPK1MET
SCHEMBL12440059 0.81 MET (0.45) NTRK1METFEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-8614226-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2013-12-24 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 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 (2 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-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D NTRK1 4085/4885TGFBR1 2919/4885MAP4K4 3575/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D NTRK1 4085/4885TGFBR1 2919/4885MAP4K4 3575/4885

“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.