SCHEMBL3385491

SCHEMBL3385491

Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)ncnc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
NPC1 O15118 2/20 0.38
DHODH Q02127 1/20 0.37
TGFBR1 P36897 6/20 0.36
MAP4K4 O95819 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
FEN1 P39748 2/20 0.34
ALOX5AP P20292 1/20 0.33
CHRNA7 P36544 1/20 0.33
MPL P40238 1/20 0.33

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
SCHEMBL10194437 0.89 IDO1 (0.35) F2F10F7F3TGFBR1
SCHEMBL3385436 0.87 MAP4K4 (0.41) F2F10F7F3NPC1
SCHEMBL243475 0.86 F2 (0.43) F2F10F7F3NPC1
Hydrochloric Acid SCHEMBL244877 0.85 F2 (0.42) F2F10F7F3NPC1
SCHEMBL246143 0.85 KDM4E (0.45) F2F10F7F3NPC1
Formic Acid SCHEMBL14876793 0.82 F2 (0.38) F2F10F7F3NPC1
SCHEMBL3391607 0.82 TGFBR1 (0.46) F2F10F7F3NPC1
SCHEMBL245963 0.81 MAP4K4 (0.43) F2F10F7F3NPC1
Phosphoric Acid SCHEMBL21748386 0.81 F2 (0.41) F2F10F7F3NPC1
Sulfuric Acid SCHEMBL244912 0.81 F2 (0.41) F2F10F7F3NPC1

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 F2 4443/4885F10 4745/4885F7 4854/4885

“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.