SCHEMBL12426294

SCHEMBL12426294

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.41
ACVR1B P36896 3/20 0.41
ACVRL1 P37023 3/20 0.41
IGF1R P08069 1/20 0.39
EGFR P00533 5/20 0.37
AURKB Q96GD4 1/20 0.37
CDK1 P06493 1/20 0.36
SRC P12931 1/20 0.36
AAK1 Q2M2I8 4/20 0.35
ERBB3 P21860 1/20 0.34
MET P08581 1/20 0.34
P2RX3 P56373 2/20 0.33
FGFR1 P11362 1/20 0.33
TNNI3K Q59H18 1/20 0.33
MKNK2 Q9HBH9 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
SCHEMBL12424774 0.89 IGF1R (0.40) TGFBR1ACVR1BACVRL1IGF1REGFR
SCHEMBL12425346 0.88 EGFR (0.49) TGFBR1ACVR1BACVRL1IGF1REGFR
SCHEMBL12426286 0.86 IGF1R (0.39) TGFBR1ACVR1BACVRL1IGF1REGFR
SCHEMBL12424841 0.85 ACVR1B (0.45) TGFBR1ACVR1BACVRL1EGFRAURKB
SCHEMBL12426284 0.84 IGF1R (0.41) TGFBR1ACVR1BACVRL1IGF1REGFR
SCHEMBL12424683 0.82 EGFR (0.39) TGFBR1ACVR1BACVRL1IGF1REGFR
SCHEMBL12425340 0.82 IGF1R (0.41) TGFBR1ACVR1BACVRL1IGF1REGFR
SCHEMBL2300989 0.82 TGFBR1 (0.45) TGFBR1ACVR1BACVRL1IGF1RAURKB
SCHEMBL12426291 0.81 TGFBR1 (0.45) TGFBR1ACVR1BACVRL1EGFRAURKB
SCHEMBL12424786 0.81 EGFR (0.44) TGFBR1ACVR1BACVRL1IGF1REGFR

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 TGFBR1 3742/4885ACVR1B 4144/4885ACVRL1 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.