SCHEMBL16206989

SCHEMBL16206989

CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C4COC4)CC3)cc2)nc1O[C@@H]1CCNC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.58
▸ EML4 Q9HC35 7/20 0.53
▸ ALK Q9UM73 7/20 0.53
▸ FLT3 P36888 7/20 0.53
▸ RET P07949 6/20 0.53
▸ ROS1 P08922 6/20 0.53
▸ TBK1 Q9UHD2 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ AXL P30530 1/20 0.45

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
SCHEMBL16206962 0.97 EGFR (0.62) EGFREML4ALKFLT3RET
SCHEMBL16206775 0.89 EGFR (0.72) EGFREML4ALKFLT3RET
SCHEMBL15134678 0.89 EGFR (0.72) EGFREML4ALKFLT3RET
SCHEMBL16206789 0.89 EGFR (0.72) EGFREML4ALKFLT3RET
SCHEMBL16206785 0.89 EGFR (0.72) EGFREML4ALKFLT3RET
SCHEMBL16206786 0.85 EGFR (0.72) EGFREML4ALKFLT3RET
SCHEMBL16207162 0.84 EGFR (0.82) EGFREML4ALKFLT3RET
SCHEMBL16207317 0.84 EGFR (0.75) EGFREML4ALKFLT3RET
SCHEMBL16206988 0.83 EGFR (0.65) EGFREML4ALKFLT3RET
SCHEMBL16207170 0.81 EGFR (0.87) EGFREML4ALKFLT3RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085540-B2 Pyrazinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2015-07-21 — — US 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
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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