SCHEMBL16207012

SCHEMBL16207012

CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1Oc1cccc(NC(=O)/C=C/CN2CCCCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.77
CTSC P53634 1/20 0.51
JAK3 P52333 3/20 0.48
JAK2 O60674 2/20 0.48
BLK P51451 1/20 0.48
BMX P51813 1/20 0.48
RET P07949 4/20 0.47
ROS1 P08922 4/20 0.47
FLT3 P36888 4/20 0.47
EML4 Q9HC35 2/20 0.47
ALK Q9UM73 2/20 0.47
BTK Q06187 3/20 0.46
KCNH2 Q12809 2/20 0.46
ABCB11 O95342 1/20 0.46
ESR1 P03372 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL16207040 0.99 EGFR (0.78) EGFRCTSCJAK3JAK2BLK
SCHEMBL16195700 0.94 EGFR (0.76) EGFRCTSCJAK3JAK2BLK
SCHEMBL16195701 0.94 EGFR (0.76) EGFRCTSCJAK3JAK2BLK
SCHEMBL16196262 0.91 EGFR (0.81) EGFRCTSCJAK3JAK2BLK
SCHEMBL16196261 0.91 EGFR (0.81) EGFRCTSCJAK3JAK2BLK
SCHEMBL16207041 0.89 EGFR (0.82) EGFRCTSCJAK3JAK2BLK
SCHEMBL16207027 0.88 EGFR (0.77) EGFRCTSCJAK3JAK2BLK
SCHEMBL16195737 0.87 EGFR (1.00) EGFRCTSCJAK3JAK2BLK
SCHEMBL16195681 0.82 EGFR (0.78) EGFRCTSCRETROS1FLT3
SCHEMBL16195663 0.80 EGFR (1.00) EGFRCTSCJAK3JAK2BLK

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 3404/4885JAK3 175/4885

“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.