SCHEMBL16206731

SCHEMBL16206731

CN1CCN(c2ccc(Nc3nc(Oc4cccc(N)c4)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.77
▸ SLC2A1 P11166 1/20 0.49
▸ LCK P06239 2/20 0.49
▸ BTK Q06187 1/20 0.49
▸ BRD4 O60885 5/20 0.47
▸ JAK3 P52333 2/20 0.46
▸ EML4 Q9HC35 2/20 0.46
▸ ALK Q9UM73 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ RET P07949 1/20 0.46
▸ ROS1 P08922 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ BLK P51451 1/20 0.46
▸ BMX P51813 1/20 0.46
▸ SYK P43405 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
SCHEMBL16206693 0.88 EGFR (0.70) EGFRSLC2A1LCKBTKBRD4
SCHEMBL16206734 0.88 EGFR (0.61) EGFRSLC2A1BRD4JAK3EML4
SCHEMBL15134743 0.88 EGFR (0.79) EGFRLCKBTKBRD4JAK3
SCHEMBL16195742 0.87 EGFR (0.60) EGFRSLC2A1EML4ALKFLT3
SCHEMBL16195432 0.87 EGFR (1.00) EGFRBTKJAK3JAK2BLK
SCHEMBL16207287 0.86 EGFR (0.59) EGFRSLC2A1BRD4JAK3EML4
SCHEMBL16206740 0.85 EGFR (0.58) EGFRSLC2A1LCKBTKEML4
SCHEMBL15134722 0.85 EGFR (0.60) EGFRSLC2A1EML4ALKFLT3
SCHEMBL16206738 0.84 EGFR (0.57) EGFRSLC2A1LCKBTKEML4
SCHEMBL16195852 0.82 EGFR (0.77) 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 6 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
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 1/4885SLC2A1 4612/4885LCK 52/4885

“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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