SCHEMBL245182

SCHEMBL245182

CN(C)CC(=O)Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.41
ADORA1 P30542 6/20 0.41
ADORA3 P0DMS8 4/20 0.41
ADORA2B P29275 1/20 0.41
DHODH Q02127 1/20 0.40
BDKRB1 P46663 1/20 0.39
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
CDK2 P24941 3/20 0.35
CDK9 P50750 3/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
PARP1 P09874 3/20 0.35
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
ROCK2 O75116 1/20 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
SCHEMBL3386521 0.87 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BDHODH
SCHEMBL246749 0.87 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BDHODH
SCHEMBL21756155 0.81 F2 (0.41) ADORA2AADORA1ADORA3ADORA2BDHODH
SCHEMBL21748387 0.77 F2 (0.38) ADORA2AADORA1ADORA3ADORA2BDHODH
SCHEMBL21748383 0.76 DHODH (0.41) ADORA2AADORA1ADORA3ADORA2BDHODH
SCHEMBL14876868 0.76 DHODH (0.41) ADORA2AADORA1ADORA3ADORA2BDHODH
SCHEMBL243475 0.75 F2 (0.43) ADORA2AADORA1DHODHF2F10
SCHEMBL243590 0.74 F2 (0.40) DHODHF2F10F7F3
Hydrochloric Acid SCHEMBL244877 0.74 F2 (0.42) ADORA2AADORA1DHODHF2F10
Phosphoric Acid SCHEMBL21748386 0.74 F2 (0.41) ADORA2AADORA1DHODHF2F10

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 11 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
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
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
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 ADORA2A 1014/4885ADORA1 813/4885ADORA3 1324/4885

“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.