SCHEMBL2321937

SCHEMBL2321937

Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccccc3)c2)c2cccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
IDO1 P14902 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 2/20 0.37
ACP1 P24666 1/20 0.37
ELANE P08246 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
CNR1 P21554 1/20 0.36
DHODH Q02127 1/20 0.36
TGFBR1 P36897 1/20 0.36
TOP1 P11387 1/20 0.36
CYP19A1 P11511 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL12440325 0.93 PDGFRB (0.40) MAPK1ABCG2IDO1CYP11B1CYP11B2
SCHEMBL12440326 0.93 ABCG2 (0.40) ABCG2IDO1CYP11B1CYP11B2ACP1
SCHEMBL12440747 0.90 CYP2A6 (0.39) MAPK1ABCG2IDO1CYP11B1CYP11B2
SCHEMBL2324957 0.86 IDO1 (0.38) MAPK1ABCG2IDO1CYP11B1CYP11B2
SCHEMBL12440775 0.86 MAP4K4 (0.41) IDO1CYP11B1CYP11B2PIM1
SCHEMBL19791400 0.86 ABCG2 (0.36) MAPK1ABCG2IDO1CYP11B1CYP11B2
SCHEMBL13834806 0.85 SUCNR1 (0.40) MAPK1ABCG2IDO1ELANEDHODH
SCHEMBL13834570 0.85 MAP4K4 (0.43) IDO1DHODHTGFBR1
SCHEMBL13835129 0.85 HCAR2 (0.39) ABCG2IDO1CYP11B1CYP11B2ACP1
SCHEMBL13834933 0.85 IDO1 (0.36) MAPK1ABCG2IDO1CYP11B1CYP11B2

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 16 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
EP-2531500-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2012-12-12 EP 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
CN-102741249-A Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH 2012-10-17 CN disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 WO 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 MAPK1 2372/4885ABCG2 427/4885IDO1 1404/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MAPK1 2372/4885ABCG2 427/4885IDO1 1404/4885

“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.