SCHEMBL3390281

SCHEMBL3390281

Nc1nccc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)nccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
TGFBR1 P36897 7/20 0.35
MAP4K4 O95819 2/20 0.35
RIPK1 Q13546 3/20 0.34
HCAR2 Q8TDS4 2/20 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
AURKA O14965 1/20 0.32
PRKD3 O94806 2/20 0.32
CDC7 O00311 1/20 0.32
DAPK3 O43293 1/20 0.32
PAK4 O96013 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
GRK5 P34947 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAPK8 P45983 1/20 0.32
CSNK1A1 P48729 1/20 0.32

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
SCHEMBL243960 0.90 TGFBR1 (0.43) IDO1TGFBR1MAP4K4RIPK1HCAR2
SCHEMBL3393145 0.90 IDO1 (0.38) IDO1TGFBR1RIPK1HCAR2F2
Hydrochloric Acid SCHEMBL14876669 0.89 IDO1 (0.38) IDO1TGFBR1RIPK1HCAR2F2
SCHEMBL243475 0.87 F2 (0.43) TGFBR1MAP4K4HCAR2F2F10
SCHEMBL10194437 0.87 IDO1 (0.35) IDO1TGFBR1MAP4K4F2F10
Hydrochloric Acid SCHEMBL244877 0.86 F2 (0.42) TGFBR1MAP4K4HCAR2F2F10
SCHEMBL12524276 0.85 TGFBR1 (0.41) IDO1TGFBR1MAP4K4RIPK1AURKA
SCHEMBL3385434 0.83 IDO1 (0.37) IDO1TGFBR1F2F10F7
SCHEMBL3386508 0.83 TGFBR1 (0.39) TGFBR1RIPK1HCAR2F2F10
SCHEMBL3384665 0.83 HSP90AA1 (0.41) TGFBR1HCAR2F12PLAUNCF1

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 9 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
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-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
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 2183/4885TGFBR1 1/4885MAP4K4 36/4885

“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.