SCHEMBL244579

SCHEMBL244579

[O-][n+]1ccc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)coc2c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
TGFBR1 P36897 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
NOS2 P35228 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKD1 Q15139 1/20 0.31
PRKD2 Q9BZL6 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
SCHEMBL244411 0.83 IDO1 (0.35) IDO1TGFBR1F2F10F7
SCHEMBL3390140 0.82 TGFBR1 (0.38) IDO1TGFBR1F2F10F7
SCHEMBL247485 0.75 IDO1 (0.35) IDO1TGFBR1F2F10F7
SCHEMBL245869 0.73 IDO1 (0.45) IDO1TGFBR1F2F10F7
SCHEMBL245669 0.72 NPC1 (0.41) TGFBR1F2F10F7F3
SCHEMBL14887469 0.72 TGFBR1 (0.33) IDO1TGFBR1F2F10F7
SCHEMBL245871 0.71 NPC1 (0.42) TGFBR1F2F10F7F3
SCHEMBL12424803 0.71 IDO1 (0.46) IDO1TGFBR1F2F10F7
SCHEMBL12424713 0.71 IDO1 (0.46) IDO1TGFBR1F2F10F7
SCHEMBL245765 0.70 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 2183/4885TGFBR1 1/4885F2 4443/4885

“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.