SCHEMBL14876913

SCHEMBL14876913

c1cnc2nccc(-c3c[nH]c4cnccc34)c2c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 3/20 0.71
▸ TGFBR1 P36897 3/20 0.71
▸ PDPK1 O15530 2/20 0.71
▸ DYRK1A Q13627 11/20 0.70
▸ NFATC1 O95644 6/20 0.70
▸ CDK2 P24941 3/20 0.63
▸ DYRK1B Q9Y463 3/20 0.63
▸ IGF1R P08069 2/20 0.63
▸ GSK3B P49841 4/20 0.57
▸ TBK1 Q9UHD2 3/20 0.51
▸ HTR2A P28223 1/20 0.44
▸ IMPDH2 P12268 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL12501045 0.83 TGFBR1 (1.00) IKBKETGFBR1PDPK1DYRK1ANFATC1
SCHEMBL12501089 0.80 TGFBR1 (0.63) IKBKETGFBR1PDPK1DYRK1ACDK2
SCHEMBL3379371 0.78 IKBKE (0.54) IKBKETGFBR1PDPK1DYRK1ANFATC1
SCHEMBL3386469 0.77 IKBKE (0.52) IKBKETGFBR1PDPK1DYRK1ANFATC1
SCHEMBL14876853 0.76 DYRK1A (0.59) IKBKETGFBR1PDPK1DYRK1ANFATC1
SCHEMBL12501062 0.75 IKBKE (0.64) IKBKETGFBR1PDPK1DYRK1ANFATC1
SCHEMBL3378612 0.74 TGFBR1 (0.52) IKBKETGFBR1PDPK1DYRK1ANFATC1
SCHEMBL16572576 0.73 TGFBR1 (0.67) IKBKETGFBR1PDPK1DYRK1ANFATC1
SCHEMBL17179566 0.73 DYRK1A (1.00) IKBKETGFBR1PDPK1DYRK1ANFATC1
SCHEMBL3382263 0.73 IKBKE (0.50) IKBKETGFBR1PDPK1DYRK1ANFATC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 52/4885TGFBR1 1/4885PDPK1 42/4885

“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.

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