SCHEMBL16206993

SCHEMBL16206993

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)c(C(N)=O)nc2CC)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.72
▸ EML4 Q9HC35 2/20 0.61
▸ ALK Q9UM73 2/20 0.61
▸ CTSC P53634 8/20 0.60
▸ PLK4 O00444 1/20 0.58
▸ GAK O14976 1/20 0.58
▸ NUAK1 O60285 1/20 0.58
▸ JAK2 O60674 1/20 0.58
▸ FLT3 P36888 1/20 0.58
▸ BLK P51451 1/20 0.58
▸ BMX P51813 1/20 0.58
▸ JAK3 P52333 1/20 0.58
▸ PTK2 Q05397 1/20 0.58
▸ BTK Q06187 1/20 0.58
▸ ITK Q08881 1/20 0.58
▸ ERBB4 Q15303 1/20 0.58
▸ DCLK3 Q9C098 1/20 0.58
▸ NUAK2 Q9H093 1/20 0.58
▸ EIF2AK4 Q9P2K8 1/20 0.58

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
SCHEMBL16196171 0.94 EGFR (0.81) EGFREML4ALKCTSCPLK4
SCHEMBL16206979 0.91 EGFR (0.87) EGFREML4ALKCTSCJAK2
SCHEMBL16206717 0.89 ALK (0.68) EGFREML4ALKPLK4GAK
SCHEMBL16207323 0.89 EGFR (0.79) EGFREML4ALKPLK4GAK
SCHEMBL16206696 0.85 ALK (0.63) EGFREML4ALKPLK4GAK
SCHEMBL16206999 0.85 EGFR (0.72) EGFREML4ALKFLT3
SCHEMBL16195522 0.84 EGFR (1.00) EGFRCTSCNUAK1JAK2BLK
SCHEMBL16207003 0.84 EGFR (0.89) EGFREML4ALKCTSCJAK2
SCHEMBL16207309 0.82 EGFR (0.90) EGFREML4ALKCTSCPLK4
SCHEMBL16195665 0.82 EGFR (1.00) EGFREML4ALKCTSC

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 1/4885EML4 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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