SCHEMBL16195765

SCHEMBL16195765

CCc1nc(C(N)=O)c(Nc2ccc(N3CCOCC3)cc2C)nc1Oc1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.55
▸ EML4 Q9HC35 4/20 0.47
▸ ALK Q9UM73 4/20 0.47
▸ CSF1R P07333 1/20 0.43
▸ F10 P00742 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ RET P07949 1/20 0.41
▸ ROS1 P08922 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ ITK Q08881 1/20 0.40
▸ TTK P33981 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
SCHEMBL16206744 0.91 EGFR (0.65) EGFREML4ALKCSF1RRET
SCHEMBL16195471 0.90 EGFR (0.50) EGFREML4ALKCSF1R
SCHEMBL16207020 0.88 EGFR (0.72) EGFRITK
SCHEMBL16206742 0.86 EGFR (0.54) EGFREML4ALKRETROS1
SCHEMBL16206739 0.84 EGFR (0.67) EGFREML4ALKRETROS1
SCHEMBL16195852 0.83 EGFR (0.77) EGFREML4ALKRETROS1
SCHEMBL15134731 0.82 EGFR (0.54) EGFREML4ALKCSF1RRET
SCHEMBL16206730 0.82 EGFR (0.78) EGFREML4ALKRETROS1
SCHEMBL15134729 0.82 FLT3 (0.57) EGFREML4ALKF10RET
SCHEMBL16196023 0.81 EML4 (0.52) EML4ALKP2RX7RETROS1

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 10 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
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
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
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
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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