SCHEMBL16207287

SCHEMBL16207287

CN1CCN(c2ccc(Nc3nc(Oc4cccc(N)c4)cnc3C(N)=O)cc2C#N)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.59
▸ PKMYT1 Q99640 2/20 0.47
▸ SLC2A1 P11166 3/20 0.47
▸ PAK1 Q13153 1/20 0.41
▸ PTK2 Q05397 1/20 0.40
▸ EML4 Q9HC35 6/20 0.40
▸ ALK Q9UM73 6/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ RET P07949 2/20 0.39
▸ ROS1 P08922 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CDK2 P24941 1/20 0.39

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
SCHEMBL16195393 0.90 EGFR (0.55) EGFRPKMYT1SLC2A1PAK1BRD4
SCHEMBL16206734 0.90 EGFR (0.61) EGFRSLC2A1EML4ALKBRD4
SCHEMBL16195742 0.89 EGFR (0.60) EGFRPKMYT1SLC2A1EML4ALK
SCHEMBL16207319 0.88 EGFR (0.78) EGFRJAK2JAK1JAK3
SCHEMBL15134722 0.87 EGFR (0.60) EGFRSLC2A1EML4ALKRET
SCHEMBL16206740 0.87 EGFR (0.58) EGFRPKMYT1SLC2A1PAK1EML4
SCHEMBL16206731 0.86 EGFR (0.77) EGFRSLC2A1EML4ALKJAK2
SCHEMBL16206738 0.85 EGFR (0.57) EGFRSLC2A1EML4ALKRET
SCHEMBL16195644 0.81 EGFR (0.54) EGFREML4ALKJAK3RET
SCHEMBL16206773 0.79 EGFR (0.57) EGFRSLC2A1BRD4CDK2

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 1/4885PKMYT1 303/4885SLC2A1 4612/4885

“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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