SCHEMBL16206734

SCHEMBL16206734

CN1CCN(c2ccc(Nc3nc(Oc4cccc(N)c4)cnc3C(N)=O)cc2Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.61
▸ SLC2A1 P11166 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CCNT1 O60563 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ CDK11A Q9UQ88 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ BRD4 O60885 3/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ CSF1R P07333 3/20 0.42
▸ SYK P43405 1/20 0.41
▸ EML4 Q9HC35 2/20 0.41
▸ ALK Q9UM73 2/20 0.41

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
SCHEMBL16195742 0.91 EGFR (0.60) EGFRSLC2A1FLT3EML4ALK
SCHEMBL16207287 0.90 EGFR (0.59) EGFRSLC2A1FLT3BRD4JAK3
SCHEMBL16206773 0.89 EGFR (0.57) EGFRSLC2A1NPC1RAB9ACDK4
SCHEMBL15134722 0.89 EGFR (0.60) EGFRSLC2A1FLT3EML4ALK
SCHEMBL16206740 0.89 EGFR (0.58) EGFRSLC2A1FLT3EML4ALK
SCHEMBL16206731 0.88 EGFR (0.77) EGFRSLC2A1FLT3BRD4JAK3
SCHEMBL16207019 0.88 EGFR (0.81) EGFRFLT3JAK3EML4ALK
SCHEMBL16206738 0.87 EGFR (0.57) EGFRSLC2A1FLT3EML4ALK
SCHEMBL16195644 0.83 EGFR (0.54) EGFRCDK4FLT3JAK3SYK
SCHEMBL15134749 0.80 EGFR (0.56) EGFRCDK4BRD4JAK3EML4

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 4612/4885NPC1 4826/4885

“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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