SCHEMBL12424786

SCHEMBL12424786

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.44
ERBB3 P21860 5/20 0.44
TP53 P04637 2/20 0.39
TGFBR1 P36897 7/20 0.37
ACVRL1 P37023 2/20 0.37
IGF1R P08069 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BMPR1A P36894 1/20 0.35
ACVR1B P36896 1/20 0.35
ACVR1 Q04771 1/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL12425349 0.96 EGFR (0.45) EGFRERBB3TP53TGFBR1ACVRL1
SCHEMBL12425348 0.95 EGFR (0.40) EGFRERBB3TP53TGFBR1ACVRL1
SCHEMBL12424683 0.90 EGFR (0.39) EGFRERBB3TP53TGFBR1ACVRL1
SCHEMBL12424827 0.89 ACP1 (0.39) EGFRERBB3TP53TGFBR1ACVRL1
SCHEMBL12426284 0.88 IGF1R (0.41) EGFRERBB3TP53TGFBR1ACVRL1
SCHEMBL12424774 0.88 IGF1R (0.40) EGFRERBB3TP53TGFBR1ACVRL1
SCHEMBL12426286 0.87 IGF1R (0.39) EGFRERBB3TP53TGFBR1ACVRL1
SCHEMBL12424769 0.87 ACHE (0.38) EGFRERBB3TP53
SCHEMBL12424841 0.86 ACVR1B (0.45) EGFRERBB3TGFBR1ACVRL1ADORA3
SCHEMBL12425340 0.86 IGF1R (0.41) EGFRERBB3TGFBR1ACVRL1IGF1R

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 846/4885ERBB3 542/4885TP53 33/4885

“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.