SCHEMBL3386469

SCHEMBL3386469

Cc1occc1-c1cc(-c2c[nH]c3cnccc23)c2cccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 3/20 0.52
PDPK1 O15530 2/20 0.52
TGFBR1 P36897 2/20 0.52
DYRK1A Q13627 11/20 0.49
CDK2 P24941 4/20 0.49
DYRK1B Q9Y463 4/20 0.49
NFATC1 O95644 6/20 0.46
GSK3B P49841 4/20 0.44
IGF1R P08069 2/20 0.43
TBK1 Q9UHD2 3/20 0.39
TDO2 P48775 2/20 0.37

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
SCHEMBL3379371 0.83 IKBKE (0.54) IKBKEPDPK1TGFBR1DYRK1ACDK2
SCHEMBL3384023 0.82 IKBKE (0.46) IKBKETBK1
SCHEMBL3378612 0.77 TGFBR1 (0.52) IKBKEPDPK1TGFBR1DYRK1ACDK2
SCHEMBL14876913 0.77 IKBKE (0.71) IKBKEPDPK1TGFBR1DYRK1ACDK2
SCHEMBL14877111 0.75 IKBKE (0.49) IKBKEPDPK1TGFBR1DYRK1ACDK2
SCHEMBL3382263 0.73 IKBKE (0.50) IKBKEPDPK1TGFBR1DYRK1ACDK2
Formic Acid SCHEMBL248032 0.73 TGFBR1 (0.47) IKBKEPDPK1TGFBR1DYRK1ACDK2
SCHEMBL14876853 0.71 DYRK1A (0.59) IKBKEPDPK1TGFBR1DYRK1ACDK2
SCHEMBL12501045 0.70 TGFBR1 (1.00) IKBKEPDPK1TGFBR1DYRK1ACDK2
SCHEMBL3380579 0.67 F10 (0.44) IKBKEPDPK1TGFBR1CDK2GSK3B

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 7 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-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 IKBKE 52/4885PDPK1 42/4885TGFBR1 1/4885

“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.