SCHEMBL12440283

SCHEMBL12440283

CN(C)CCc1ccc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
RET P07949 2/20 0.37
TGFBR1 P36897 3/20 0.36
MAP4K4 O95819 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
GBA1 P04062 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
WNT1 P04628 4/20 0.34
ELOVL1 Q9BW60 1/20 0.34
NUDT1 P36639 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL13835010 0.93 IDO1 (0.38) IDO1RETTAAR1HCAR2HRH3
SCHEMBL19791447 0.87 IDO1 (0.39) IDO1RETHCAR2GBA1WNT1
SCHEMBL19791688 0.83 CYP51A1 (0.36) RETHCAR2SUCNR1
SCHEMBL12440011 0.80 IDO1 (0.44) IDO1TGFBR1HCAR2WNT1
SCHEMBL19791357 0.79 F10 (0.37) TGFBR1WNT1
SCHEMBL13834445 0.78 CHEK1 (0.43)
SCHEMBL12440793 0.77 TGFBR1 (0.36) IDO1TGFBR1WNT1
SCHEMBL19791435 0.77 RET (0.35) RETGBA1HRH3WNT1NUDT1
SCHEMBL13834388 0.77 ABCG2 (0.48) IDO1
SCHEMBL13968368 0.76 GCGR (0.42) HRH3WNT1

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 IDO1 1404/4885RET 3574/4885TGFBR1 2919/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D IDO1 1404/4885RET 3574/4885TGFBR1 2919/4885

“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.