SCHEMBL2022912

SCHEMBL2022912

COc1ccc(NC(=O)N2CCC(CNc3nccc(-c4cn5c6c(cccc46)CCC5)n3)CC2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.55
KCNH2 Q12809 1/20 0.55
MKNK2 Q9HBH9 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42

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
SCHEMBL2019525 0.90 EGFR (0.52) EGFRKCNH2
SCHEMBL2022214 0.85 EGFR (0.48) EGFRKCNH2
SCHEMBL2023016 0.85 EGFR (0.49) EGFRKCNH2
SCHEMBL2017752 0.84 EGFR (0.48) EGFRKCNH2MKNK2
SCHEMBL2016080 0.84 EGFR (0.49) EGFRKCNH2MKNK2
SCHEMBL2021591 0.84 EGFR (0.54) EGFRKCNH2
SCHEMBL2021867 0.84 EGFR (0.48) EGFRKCNH2MKNK2
SCHEMBL2019799 0.83 EGFR (0.48) EGFRKCNH2MKNK2
SCHEMBL2021430 0.83 EGFR (0.48) EGFRKCNH2
SCHEMBL2018528 0.83 EGFR (0.47) EGFRKCNH2MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
WO-2011082266-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 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-20110160237-A1 Substituted Heterocyclic Compounds MKI67, CCNC, NQO1 EGFR 220/4885KCNH2 4116/4885MKNK2 2956/4885

“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.