SCHEMBL16207041

SCHEMBL16207041

CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1Oc1cccc(NC(=O)/C=C/CN(C)C)c1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.82
CTSC P53634 1/20 0.52
JAK2 O60674 1/20 0.49
BLK P51451 1/20 0.49
BMX P51813 1/20 0.49
JAK3 P52333 1/20 0.49
RET P07949 4/20 0.48
ROS1 P08922 4/20 0.48
FLT3 P36888 4/20 0.48
EML4 Q9HC35 2/20 0.48
ALK Q9UM73 2/20 0.48

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
SCHEMBL16207027 0.95 EGFR (0.77) EGFRCTSCJAK2BLKBMX
SCHEMBL16196262 0.92 EGFR (0.81) EGFRCTSCJAK2BLKBMX
SCHEMBL16196261 0.92 EGFR (0.81) EGFRCTSCJAK2BLKBMX
SCHEMBL16195662 0.90 EGFR (1.00) EGFRCTSCJAK2BLKBMX
SCHEMBL16195663 0.90 EGFR (1.00) EGFRCTSCJAK2BLKBMX
SCHEMBL16207040 0.90 EGFR (0.78) EGFRCTSCJAK2BLKBMX
SCHEMBL16207012 0.89 EGFR (0.77) EGFRCTSCJAK2BLKBMX
SCHEMBL16195700 0.89 EGFR (0.76) EGFRCTSCJAK2BLKBMX
SCHEMBL16195701 0.89 EGFR (0.76) EGFRCTSCJAK2BLKBMX
SCHEMBL16195737 0.88 EGFR (1.00) EGFRCTSCJAK2BLKBMX

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 2 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-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 1/4885CTSC 3404/4885JAK2 9/4885

“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.