SCHEMBL3389418

SCHEMBL3389418

Cc1cccc(-c2cc(-c3cccc4c(N)nccc34)c3cccnc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.45
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
MAPK14 Q16539 2/20 0.37
TGFBR2 P37173 1/20 0.35
PDPK1 O15530 1/20 0.35
F12 P00748 1/20 0.35
PLAU P00749 1/20 0.35
NCF1 P14598 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
BACE1 P56817 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
MAP4K4 O95819 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
SCHEMBL14884401 0.91 TGFBR1 (0.40) TGFBR1CCR1CCR8MAPK14TGFBR2
Hydrochloric Acid SCHEMBL14876603 0.90 TGFBR1 (0.40) TGFBR1CCR1CCR8MAPK14TGFBR2
SCHEMBL21756153 0.84 TGFBR1 (0.42) TGFBR1CCR1CCR8MAPK14TGFBR2
SCHEMBL12424714 0.80 ADORA2A (0.48) TGFBR1CCR1CCR8MAPK14TGFBR2
SCHEMBL3391607 0.79 TGFBR1 (0.46) TGFBR1F12PLAUNCF1NOS3
SCHEMBL14241409 0.77 CCR1 (0.50) TGFBR1CCR1CCR8MAPK14TGFBR2
SCHEMBL3393222 0.76 TGFBR1 (0.43) TGFBR1
SCHEMBL246499 0.76 TGFBR1 (0.43) TGFBR1CCR1CCR8MAPK14CYP3A4
SCHEMBL3393742 0.75 CYP2A6 (0.40) TGFBR1CCR1CCR8MAPK14TGFBR2
SCHEMBL21756163 0.75 TGFBR1 (0.40) TGFBR1CCR1CCR8MAPK14TGFBR2

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 TGFBR1 1/4885CCR1 4372/4885CCR8 4681/4885

“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.