SCHEMBL3384665

SCHEMBL3384665

Nc1nccc2c(-c3cc(-c4ccccc4Cl)nc4ncccc34)nccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
F12 P00748 1/20 0.40
PLAU P00749 1/20 0.40
NCF1 P14598 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
BACE1 P56817 1/20 0.40
DPP4 P27487 1/20 0.39
MAPK14 Q16539 1/20 0.39
TGFBR1 P36897 2/20 0.39
CHRNA7 P36544 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
PTPN1 P18031 1/20 0.36
CYP19A1 P11511 1/20 0.35
TOP2A P11388 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL243475 0.86 F2 (0.43) F12PLAUNCF1NOS3NOS1
Hydrochloric Acid SCHEMBL244877 0.85 F2 (0.42) F12PLAUNCF1NOS3NOS1
SCHEMBL3382847 0.84 TGFBR1 (0.40) HSP90AA1F12PLAUNCF1NOS3
SCHEMBL3390281 0.83 IDO1 (0.38) F12PLAUNCF1NOS3NOS1
Sulfuric Acid SCHEMBL244912 0.80 F2 (0.41) TGFBR1HCAR2ADORA2AADORA1TOP2A
Phosphoric Acid SCHEMBL21748386 0.80 F2 (0.41) TGFBR1HCAR2ADORA2AADORA1ATR
SCHEMBL3393145 0.79 IDO1 (0.38) F12PLAUNCF1NOS3NOS1
SCHEMBL3386508 0.79 TGFBR1 (0.39) F12PLAUNCF1NOS3NOS1
SCHEMBL21748383 0.79 DHODH (0.41) TGFBR1ADORA2AADORA1ATR
SCHEMBL14876868 0.79 DHODH (0.41) TGFBR1ADORA2AADORA1ATR

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 HSP90AA1 1226/4885HSP90AB1 754/4885F12 4236/4885

“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.