SCHEMBL13835010

SCHEMBL13835010

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
RET P07949 2/20 0.37
SUCNR1 Q9BXA5 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CDK1 P06493 1/20 0.35
KDR P35968 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
EGFR P00533 1/20 0.35
MELK Q14680 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ACP1 P24666 1/20 0.34
NUDT1 P36639 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
WNT1 P04628 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
SCHEMBL19791447 0.94 IDO1 (0.39) IDO1RETSUCNR1HCAR2KDR
SCHEMBL12440283 0.93 IDO1 (0.38) IDO1RETSUCNR1HCAR2HRH3
SCHEMBL19791688 0.90 CYP51A1 (0.36) RETSUCNR1HCAR2CYP11B1CYP11B2
SCHEMBL12440011 0.87 IDO1 (0.44) IDO1HCAR2KDRWNT1
SCHEMBL12440325 0.83 PDGFRB (0.40) IDO1SUCNR1CYP11B1CYP11B2ACP1
SCHEMBL2321937 0.83 MAPK1 (0.40) IDO1CYP11B1CYP11B2ACP1
SCHEMBL12440280 0.83 MCHR1 (0.40) RETSUCNR1CDK1KDRHRH3
SCHEMBL19791573 0.82 ACP1 (0.41) RETCDK1HRH3ACP1WNT1
SCHEMBL12440047 0.82 TGFBR1 (0.46) IDO1KDR
SCHEMBL19791445 0.82 MCHR1 (0.42) RETSUCNR1KDRHRH3ACP1

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 11 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
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 IDO1 1404/4885RET 3574/4885SUCNR1 2692/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D IDO1 1404/4885RET 3574/4885SUCNR1 2692/4885

“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.