SCHEMBL19966896

SCHEMBL19966896

CCNc1nccc(-c2c3n(c4ccccc24)CCC3)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 5/20 0.39
MAPK9 P45984 3/20 0.37
MAPK10 P53779 2/20 0.37
JUN P05412 2/20 0.37
MAPK8 P45983 2/20 0.37
MKNK1 Q9BUB5 3/20 0.37
MAPK14 Q16539 2/20 0.37
THRB P10828 1/20 0.37
TGFBR1 P36897 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PDPK1 O15530 1/20 0.36
EGFR P00533 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CDK4 P11802 1/20 0.36
KDR P35968 1/20 0.36
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL18202270 0.79 HTR2A (0.40) MAPK14THRBTGFBR1
SCHEMBL21158689 0.78 HTR2A (0.39) EIF2AK2MAPK14THRBTGFBR1
SCHEMBL18202323 0.75 HTR2A (0.39) TGFBR1
SCHEMBL29571670 0.75 HTR2A (0.39) TGFBR1
SCHEMBL29571431 0.75 CDK9 (0.43) PDPK1
SCHEMBL19921275 0.73 EGFR (0.43) MKNK1MKNK2EGFR
SCHEMBL21158687 0.73 EGFR (0.45) EGFR
SCHEMBL28378854 0.72 EGFR (0.43) EGFR
SCHEMBL21227299 0.72 EGFR (0.41) EGFR
SCHEMBL28362602 0.72 EGFR (0.39) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 EIF2AK2 1607/4885MAPK9 22/4885MAPK10 82/4885

“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.