SCHEMBL12440326

SCHEMBL12440326

Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cccnc3)c2)c2cccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.40
CYP11B1 P15538 4/20 0.39
BCHE P06276 1/20 0.39
IDO1 P14902 1/20 0.38
CYP11B2 P19099 3/20 0.37
ACP1 P24666 1/20 0.37
PIM1 P11309 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
ROS1 P08922 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2321937 0.93 MAPK1 (0.40) ABCG2CYP11B1BCHEIDO1CYP11B2
SCHEMBL12440325 0.91 PDGFRB (0.40) ABCG2CYP11B1IDO1CYP11B2ACP1
SCHEMBL12441225 0.88 NPC1 (0.48) ABCG2CYP11B1CYP11B2PIM1NPC1
SCHEMBL12440775 0.88 MAP4K4 (0.41) CYP11B1IDO1CYP11B2PIM1CYP1A2
SCHEMBL14141538 0.88 ABCG2 (0.41) ABCG2CYP11B1BCHEIDO1CYP11B2
SCHEMBL12440747 0.88 CYP2A6 (0.39) ABCG2CYP11B1IDO1CYP11B2ACP1
SCHEMBL2324957 0.86 IDO1 (0.38) ABCG2CYP11B1BCHEIDO1CYP11B2
SCHEMBL19791400 0.86 ABCG2 (0.36) ABCG2CYP11B1BCHEIDO1CYP11B2
SCHEMBL13834570 0.85 MAP4K4 (0.43) IDO1TGFBR1
SCHEMBL13835129 0.85 HCAR2 (0.39) ABCG2CYP11B1BCHEIDO1CYP11B2

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 14 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
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 ABCG2 427/4885CYP11B1 1067/4885BCHE 3155/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D ABCG2 427/4885CYP11B1 1067/4885BCHE 3155/4885

“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.