SCHEMBL3389470

SCHEMBL3389470

OCCOc1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.44
FEN1 P39748 3/20 0.44
DHODH Q02127 3/20 0.39
NPC1 O15118 2/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
PDE5A O76074 1/20 0.35
PIM1 P11309 4/20 0.35
PIM2 Q9P1W9 4/20 0.35
DHPS P49366 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34

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
SCHEMBL248104 0.87 ALOX5AP (0.42) ALOX5APFEN1DHODHNPC1F2
SCHEMBL3378985 0.86 FEN1 (0.45) ALOX5APFEN1DHODHNPC1F2
SCHEMBL3385898 0.85 NPC1 (0.40) ALOX5APFEN1DHODHNPC1F2
SCHEMBL3391200 0.83 GRM4 (0.45) ALOX5APFEN1NPC1PIM1PIM2
SCHEMBL246201 0.81 TBK1 (0.49) ALOX5APFEN1DHODHNPC1F2
SCHEMBL15460611 0.81 NPC1 (0.39) DHODHNPC1F2F10F7
SCHEMBL247583 0.80 NPC1 (0.44) DHODHNPC1F2F10F7
SCHEMBL3389785 0.79 F10 (0.39) DHODHNPC1F2F10F7
SCHEMBL19791331 0.79 RPS6KA3 (0.46) FEN1DHODHNPC1F2F10
SCHEMBL19791506 0.78 MAPK14 (0.38) NPC1F2F10F7F3

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 6 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
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 ALOX5AP 4328/4885FEN1 2344/4885DHODH 1172/4885

“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.