SCHEMBL13835129

SCHEMBL13835129

NCCc1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.39
TAAR1 Q96RJ0 1/20 0.36
ACP1 P24666 1/20 0.36
MAOB P27338 2/20 0.36
KARS1 Q15046 1/20 0.35
BACE1 P56817 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SUCNR1 Q9BXA5 2/20 0.34
SYK P43405 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.33
IDO1 P14902 1/20 0.33
HRH1 P35367 1/20 0.33
OXGR1 Q96P68 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL19791434 0.94 ACP1 (0.39) HCAR2ACP1BACE1CYP11B1CYP11B2
SCHEMBL19791437 0.89 TAAR1 (0.39) HCAR2TAAR1ACP1BACE1CYP11B1
SCHEMBL13834517 0.87 SLC6A3 (0.38) HCAR2ACP1
SCHEMBL13834312 0.86 RPS6KA3 (0.43) HCAR2BACE1CYP11B1CYP11B2SYK
SCHEMBL12440326 0.85 ABCG2 (0.40) ACP1CYP11B1CYP11B2ABCG2IDO1
SCHEMBL2321937 0.85 MAPK1 (0.40) ACP1CYP11B1CYP11B2ABCG2IDO1
SCHEMBL13835140 0.85 HCAR2 (0.36) HCAR2ACP1CYP11B1CYP11B2SYK
SCHEMBL19791400 0.84 ABCG2 (0.36) CYP11B1CYP11B2SUCNR1SYKABCG2
SCHEMBL12440325 0.83 PDGFRB (0.40) ACP1CYP11B1CYP11B2SUCNR1ABCG2
SCHEMBL12440759 0.82 CA9 (0.39) MAOBABCG2IDO1

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 HCAR2 2625/4885TAAR1 3530/4885ACP1 4054/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D HCAR2 2625/4885TAAR1 3530/4885ACP1 4054/4885

“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.