SCHEMBL244411

SCHEMBL244411

[O-][n+]1ccc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)cccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
NOS2 P35228 1/20 0.34
TGFBR1 P36897 3/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
SLC40A1 Q9NP59 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKD1 Q15139 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
DHODH Q02127 1/20 0.31
NPC1 O15118 1/20 0.31
NR4A2 P43354 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL245669 0.89 NPC1 (0.41) TGFBR1F2F10F7F3
SCHEMBL244579 0.83 IDO1 (0.34) IDO1NOS2TGFBR1F2F10
SCHEMBL244421 0.81 KDR (0.47) IDO1TGFBR1PRKD3PRKD1PRKD2
SCHEMBL16775307 0.79 MAPK14 (0.40) NPC1KDM4EMAPK14
SCHEMBL12441261 0.78 NPC1 (0.39) TGFBR1F2F10F7F3
SCHEMBL243960 0.78 TGFBR1 (0.43) IDO1TGFBR1F2F10F7
SCHEMBL247183 0.77 NPC1 (0.37) IDO1TGFBR1F2F10F7
SCHEMBL245871 0.77 NPC1 (0.42) TGFBR1F2F10F7F3
SCHEMBL245785 0.77 F2 (0.39) TGFBR1F2F10F7F3
SCHEMBL245765 0.76 DHODH (0.40) IDO1F2F10F7F3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
EP-2585461-A1 2,4- DIARYL - SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER Merck Patent GmbH (DE) 2013-05-01 EP disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 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 (1 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-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 IDO1 2183/4885NOS2 1688/4885TGFBR1 1/4885

“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.