SCHEMBL12440239

SCHEMBL12440239

Fc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(CCN5CCCC5)c4)c3)c3cccnc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
TGFBR1 P36897 6/20 0.39
MAP4K4 O95819 1/20 0.39
CYP11B2 P19099 1/20 0.37
KDR P35968 2/20 0.36
WNT1 P04628 2/20 0.36
AURKB Q96GD4 1/20 0.35
FGFR1 P11362 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALK Q9UM73 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR6 P50406 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 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
SCHEMBL2320748 0.93 MET (0.40) METCYP11B2KDRWNT1AURKB
SCHEMBL2327583 0.92 MET (0.41) METTGFBR1MAP4K4CYP11B2KDR
SCHEMBL13968291 0.92 MET (0.39) METTGFBR1MAP4K4CYP11B2KDR
SCHEMBL2365126 0.90 BRAF (0.38) METCYP11B2KDRCCNCCDK8
SCHEMBL2324722 0.90 CYP11B2 (0.40) TGFBR1MAP4K4CYP11B2KDRFGFR1
SCHEMBL13968290 0.89 MET (0.37) METTGFBR1MAP4K4CYP11B2KDR
SCHEMBL13968474 0.87 KDR (0.36) METTGFBR1MAP4K4CYP11B2KDR
SCHEMBL2321729 0.87 MAPK1 (0.42) MAP4K4CYP11B2KDRFGFR1MAPK1
SCHEMBL13835189 0.86 NTRK1 (0.44) METTGFBR1MAP4K4MAPK1
SCHEMBL12439724 0.86 PAICS (0.37) METTGFBR1KDRFGFR1CCNC

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 13 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
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 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 (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 MET 2262/4885TGFBR1 2919/4885MAP4K4 3575/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MET 2262/4885TGFBR1 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.