SCHEMBL16207060

SCHEMBL16207060

C=CC(=O)N1CCN(c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)CC1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.81
▸ RET P07949 10/20 0.67
▸ ROS1 P08922 10/20 0.67
▸ FLT3 P36888 10/20 0.67
▸ EML4 Q9HC35 8/20 0.67
▸ ALK Q9UM73 8/20 0.67

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
SCHEMBL16207072 0.98 EGFR (0.77) EGFRRETROS1FLT3EML4
SCHEMBL16207063 0.93 EGFR (0.68) EGFRRETROS1FLT3EML4
SCHEMBL16207071 0.91 EGFR (0.68) EGFRRETROS1FLT3EML4
SCHEMBL16195769 0.91 EGFR (0.71) EGFRRETROS1FLT3EML4
SCHEMBL16207086 0.90 EGFR (0.73) EGFRRETROS1FLT3EML4
SCHEMBL16207085 0.90 EGFR (0.73) EGFRRETROS1FLT3EML4
SCHEMBL16207080 0.90 EGFR (0.68) EGFRRETROS1FLT3EML4
SCHEMBL16207082 0.90 EGFR (0.68) EGFRRETROS1FLT3EML4
SCHEMBL16195510 0.89 EGFR (1.00) EGFRRETROS1FLT3EML4
SCHEMBL16207062 0.89 EGFR (0.82) EGFRRETROS1FLT3EML4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885RET 6/4885ROS1 25/4885

“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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