SCHEMBL3391663

SCHEMBL3391663

Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.41
GABRB3 P28472 5/20 0.41
GABRA5 P31644 5/20 0.41
GABRA3 P34903 5/20 0.41
NPC1 O15118 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
DHODH Q02127 1/20 0.36
GABRA1 P14867 3/20 0.35
FEN1 P39748 2/20 0.35
ALOX5AP P20292 1/20 0.35
TGFBR1 P36897 3/20 0.35
KDM4E B2RXH2 3/20 0.34
ATR Q13535 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 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
SCHEMBL243475 0.88 F2 (0.43) GABRG2GABRB3GABRA5GABRA3NPC1
Hydrochloric Acid SCHEMBL244877 0.87 F2 (0.42) GABRG2GABRB3GABRA5GABRA3NPC1
SCHEMBL246233 0.84 NPC1 (0.41) NPC1F2F10F7F3
SCHEMBL3391607 0.83 TGFBR1 (0.46) NPC1F2F10F7F3
SCHEMBL3391889 0.83 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3NPC1
Sulfuric Acid SCHEMBL244912 0.82 F2 (0.41) GABRG2GABRB3GABRA5GABRA3NPC1
Phosphoric Acid SCHEMBL21748386 0.82 F2 (0.41) GABRG2GABRB3GABRA5GABRA3NPC1
SCHEMBL21748383 0.81 DHODH (0.41) NPC1F2F10F7F3
SCHEMBL14876868 0.81 DHODH (0.41) NPC1F2F10F7F3
Maleic Acid SCHEMBL248477 0.80 DHODH (0.42) 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 GABRG2 4475/4885GABRB3 4247/4885GABRA5 4311/4885

“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.