SCHEMBL3391836

SCHEMBL3391836

COCCn1cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.48
MKNK2 Q9HBH9 4/20 0.45
MKNK1 Q9BUB5 2/20 0.45
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
DYRK1A Q13627 2/20 0.39
CCNT1 O60563 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
NFATC1 O95644 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.37
PRKACA P17612 2/20 0.37
PRKACG P22612 2/20 0.37
PRKACB P22694 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL3389011 0.92 GSK3B (0.50) GSK3BMKNK2MKNK1CDK1CCNB1
Formic Acid SCHEMBL248316 0.87 GSK3B (0.46) GSK3BMKNK2MKNK1CDK1CCNB1
SCHEMBL12440044 0.76 FEN1 (0.43) EGFR
SCHEMBL3384191 0.74 IDO1 (0.42)
SCHEMBL245858 0.72 IDO1 (0.39) GSK3B
SCHEMBL12424713 0.72 IDO1 (0.46) L3MBTL1
SCHEMBL245869 0.71 IDO1 (0.45) L3MBTL1
SCHEMBL3389923 0.71 GSK3B (0.40) GSK3BCDK1CCNB1
SCHEMBL3381872 0.71 HTR1A (0.38)
SCHEMBL12440275 0.71 DHODH (0.43)

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 GSK3B 164/4885MKNK2 214/4885MKNK1 165/4885

“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.