SCHEMBL12424841

SCHEMBL12424841

CC(C)(C)OC(=O)NCCCC(=O)Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 2/20 0.45
TGFBR1 P36897 2/20 0.45
ACVRL1 P37023 2/20 0.45
ADORA3 P0DMS8 5/20 0.40
EGFR P00533 6/20 0.40
AURKB Q96GD4 1/20 0.40
ERBB3 P21860 3/20 0.40
CYP3A4 P08684 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKACA P17612 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 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
SCHEMBL12425346 0.91 EGFR (0.49) ACVR1BTGFBR1ACVRL1EGFRAURKB
SCHEMBL12426291 0.87 TGFBR1 (0.45) ACVR1BTGFBR1ACVRL1EGFRAURKB
SCHEMBL12425349 0.87 EGFR (0.45) TGFBR1ACVRL1ADORA3EGFRERBB3
SCHEMBL12424786 0.86 EGFR (0.44) ACVR1BTGFBR1ACVRL1ADORA3EGFR
SCHEMBL12426294 0.85 TGFBR1 (0.41) ACVR1BTGFBR1ACVRL1EGFRAURKB
SCHEMBL12424683 0.85 EGFR (0.39) ACVR1BTGFBR1ACVRL1EGFRERBB3
SCHEMBL12425348 0.83 EGFR (0.40) ACVR1BTGFBR1ACVRL1EGFRERBB3
SCHEMBL12424774 0.83 IGF1R (0.40) ACVR1BTGFBR1ACVRL1EGFRERBB3
SCHEMBL12424827 0.82 ACP1 (0.39) ACVR1BTGFBR1ACVRL1EGFRERBB3
SCHEMBL12424840 0.82 EGFR (0.41) ACVR1BTGFBR1ACVRL1EGFRAURKB

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-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D ACVR1B 4144/4885TGFBR1 3742/4885ACVRL1 4102/4885

“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.