Sugi Predict

Sugi Predict / Compounds / SCHEMBL14213729

SCHEMBL14213729

SCHEMBL14213729

CN(C/C=C/C(=O)Nc1cc(Nc2cc(Oc3ccc(Oc4ccccc4)cc3)ncn2)ccc1N1CCOCC1)CCOCCOCCN=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.39
▸ JAK3 P52333 6/20 0.39
▸ EGFR P00533 5/20 0.39
▸ ERBB2 P04626 4/20 0.39
▸ ERBB4 Q15303 3/20 0.39
▸ LCK P06239 4/20 0.36
▸ CDK2 P24941 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ JAK1 P23458 3/20 0.34
▸ SRC P12931 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PIP4K2A P48426 2/20 0.34
▸ PIP4K2B P78356 2/20 0.34
▸ MAPT P10636 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
SCHEMBL13541421 0.99 MET (0.40) METJAK3EGFRERBB2ERBB4
SCHEMBL14213726 0.86 EGFR (0.36) METJAK3EGFRERBB2ERBB4
SCHEMBL13541424 0.85 JAK3 (0.36) METJAK3EGFRERBB2ERBB4
SCHEMBL13542519 0.82 EGFR (0.39) JAK3EGFRERBB2ERBB4LCK
SCHEMBL14213732 0.81 EGFR (0.41) JAK3EGFRERBB2ERBB4MAPK14
SCHEMBL14213727 0.81 PIP4K2A (0.51) JAK3EGFRERBB2ERBB4PIP4K2A
SCHEMBL13541423 0.81 EGFR (0.42) JAK3EGFRERBB2ERBB4MAPK14
SCHEMBL13541425 0.81 PIP4K2A (0.52) JAK3EGFRERBB2ERBB4PIP4K2A
SCHEMBL690656 0.77 MET (0.51) METJAK3EGFRERBB2CDK2
SCHEMBL12310574 0.76 EGFR (0.45) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2016-09-29 — — US disclosed
US-8748606-B2 4,6-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-10 — — US disclosed
US-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 — — US disclosed
US-8329901-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2012-12-11 — — US disclosed
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-15 — — 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 (3 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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MET 1908/4885JAK3 439/4885EGFR 1981/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MET 1908/4885JAK3 439/4885EGFR 1981/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MET 1908/4885JAK3 439/4885EGFR 1981/4885

“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.