SCHEMBL12424840

SCHEMBL12424840

CCOC(=O)NCC(=O)Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)ncn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.41
IGF1R P08069 1/20 0.39
AURKB Q96GD4 1/20 0.39
ERBB3 P21860 6/20 0.37
TP53 P04637 1/20 0.35
KDR P35968 1/20 0.35
TGFBR1 P36897 5/20 0.34
ACVR1B P36896 3/20 0.34
ACVRL1 P37023 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34

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) EGFRIGF1RAURKBERBB3TP53
SCHEMBL12424683 0.86 EGFR (0.39) EGFRIGF1RERBB3TP53TGFBR1
SCHEMBL12424786 0.85 EGFR (0.44) EGFRIGF1RERBB3TP53TGFBR1
SCHEMBL12425348 0.85 EGFR (0.40) EGFRIGF1RERBB3TP53TGFBR1
SCHEMBL12424827 0.85 ACP1 (0.39) EGFRIGF1RERBB3TP53KDR
SCHEMBL12426284 0.84 IGF1R (0.41) EGFRIGF1RERBB3TP53TGFBR1
SCHEMBL12424774 0.84 IGF1R (0.40) EGFRIGF1RERBB3TP53KDR
SCHEMBL12425349 0.83 EGFR (0.45) EGFRIGF1RERBB3TP53TGFBR1
SCHEMBL12425340 0.82 IGF1R (0.41) EGFRIGF1RERBB3KDRTGFBR1
SCHEMBL12424841 0.82 ACVR1B (0.45) EGFRAURKBERBB3TGFBR1ACVR1B

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 EGFR 846/4885IGF1R 867/4885AURKB 2323/4885

“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.