SCHEMBL16207274

SCHEMBL16207274

CCc1nc(C(N)=O)c(Nc2ccc(OC)c(N3CCN(C)CC3)c2)nc1Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.73
▸ EML4 Q9HC35 6/20 0.58
▸ ALK Q9UM73 6/20 0.58
▸ HTR6 P50406 1/20 0.49
▸ BMPR1B O00238 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ CIT O14578 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ GAK O14976 1/20 0.46
▸ EPHB6 O15197 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ BUB1 O43683 1/20 0.46
▸ SNRNP200 O75643 1/20 0.46
▸ STK16 O75716 1/20 0.46
▸ STK10 O94804 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ LATS1 O95835 1/20 0.46
▸ SLC25A5 P05141 1/20 0.46
▸ YES1 P07947 1/20 0.46
▸ RET P07949 1/20 0.46

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
SCHEMBL16207286 0.94 EGFR (0.65) EGFREML4ALKBMPR1BPLK4
SCHEMBL16206698 0.91 EGFR (0.61) EGFREML4ALKRETROS1
SCHEMBL16206688 0.90 EGFR (0.59) EGFREML4ALKRETROS1
SCHEMBL16207282 0.90 EGFR (0.79) EGFREML4ALKBMPR1BPLK4
SCHEMBL16206691 0.89 EGFR (0.58) EGFREML4ALKRETROS1
SCHEMBL16195736 0.88 EGFR (0.71) EGFREML4ALKRETROS1
SCHEMBL16207276 0.88 EML4 (0.63) EGFREML4ALKBMPR1BPLK4
SCHEMBL16206701 0.88 EGFR (0.64) EGFREML4ALKAURKARET
SCHEMBL16207277 0.87 ALK (0.58) EGFREML4ALKRETROS1
SCHEMBL16196158 0.86 EGFR (0.61) EGFREML4ALK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805940-B1 PYRAZINE CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-11-23 — — EP disclosed
US-9085540-B2 Pyrazinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2015-07-21 — — US disclosed
EP-2805940-A1 PYRAZINE CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2014-11-26 — — EP disclosed
US-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-30 — — US 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-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND EGFR, ERBB2, ALK EGFR 1/4885EML4 158/4885ALK 3/4885

“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.

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