SCHEMBL3393145

SCHEMBL3393145

Nc1nccc2c(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)nccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
TGFBR1 P36897 6/20 0.37
CDC7 O00311 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
HCAR2 Q8TDS4 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RIPK1 Q13546 2/20 0.33
TDO2 P48775 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
NCF1 P14598 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
Hydrochloric Acid SCHEMBL14876669 0.99 IDO1 (0.38) IDO1TGFBR1CDC7CCNE1CDK2
SCHEMBL3390281 0.90 IDO1 (0.38) IDO1TGFBR1CDC7F2F10
SCHEMBL3393222 0.90 TGFBR1 (0.43) IDO1TGFBR1CDC7CCNE1CDK2
SCHEMBL243475 0.88 F2 (0.43) TGFBR1F2F10F7F3
Hydrochloric Acid SCHEMBL244877 0.87 F2 (0.42) TGFBR1F2F10F7F3
SCHEMBL12524277 0.85 CDC7 (0.35) TGFBR1CDC7CCNE1CDK2DBF4
SCHEMBL21756164 0.84 TGFBR1 (0.38) IDO1TGFBR1F2F10F7
SCHEMBL3386508 0.84 TGFBR1 (0.39) TGFBR1F2F10F7F3
Phosphoric Acid SCHEMBL21748386 0.83 F2 (0.41) TGFBR1CDC7DBF4F2F10
Sulfuric Acid SCHEMBL244912 0.83 F2 (0.41) TGFBR1CDC7DBF4F2F10

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 IDO1 2183/4885TGFBR1 1/4885CDC7 115/4885

“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.