SCHEMBL16195530

SCHEMBL16195530

NC(=O)c1ncc(N[C@@H]2CCN(C(=O)O)C2)nc1Nc1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.43
▸ LCK P06239 5/20 0.43
▸ EGFR P00533 2/20 0.43
▸ JAK3 P52333 6/20 0.43
▸ EML4 Q9HC35 3/20 0.42
▸ ALK Q9UM73 3/20 0.42
▸ SYK P43405 6/20 0.42
▸ RET P07949 2/20 0.42
▸ ROS1 P08922 2/20 0.42
▸ FLT3 P36888 2/20 0.42

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
SCHEMBL16206874 0.89 BTK (0.55) BTKLCKEGFRJAK3EML4
SCHEMBL16195649 0.88 ALK (0.45) BTKLCKJAK3EML4ALK
SCHEMBL16195774 0.86 EML4 (0.47) BTKLCKEGFRJAK3EML4
SCHEMBL16206801 0.79 BTK (0.49) BTKLCKEGFRJAK3EML4
SCHEMBL14956008 0.78 SYK (0.65) EML4ALKSYKRETROS1
SCHEMBL17690654 0.76 EML4 (0.53) BTKLCKJAK3EML4ALK
SCHEMBL16206875 0.75 BTK (0.57) BTKLCKEGFRJAK3EML4
SCHEMBL16206876 0.75 BTK (0.55) BTKLCKEGFRJAK3EML4
SCHEMBL10129765 0.75 ALK (0.56) EML4ALKSYKRETROS1
SCHEMBL10129630 0.75 ALK (0.49) BTKLCKJAK3EML4ALK

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 BTK 95/4885LCK 52/4885EGFR 1/4885

“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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