SCHEMBL14213732

SCHEMBL14213732

CN(C/C=C/C(=O)Nc1cccc(Nc2cc(Oc3ccc(Oc4ccccc4)cc3)ncn2)n1)CCOCCOCCN=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.41
ERBB2 P04626 5/20 0.41
JAK3 P52333 2/20 0.41
ERBB4 Q15303 2/20 0.41
KDR P35968 4/20 0.35
TNNI3K Q59H18 3/20 0.35
PIP4K2A P48426 4/20 0.34
PIP4K2B P78356 4/20 0.34
MAP2K7 O14733 4/20 0.33
MAPK14 Q16539 2/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL13541423 0.99 EGFR (0.42) EGFRERBB2JAK3ERBB4KDR
SCHEMBL14213727 0.84 PIP4K2A (0.51) EGFRERBB2JAK3ERBB4PIP4K2A
SCHEMBL13541425 0.84 PIP4K2A (0.52) EGFRERBB2JAK3ERBB4PIP4K2A
SCHEMBL16158633 0.83 PIP4K2A (0.46) EGFRERBB2JAK3TNNI3KPIP4K2A
SCHEMBL12262381 0.83 EGFR (0.57) EGFRERBB2JAK3ERBB4KDR
SCHEMBL14213729 0.81 MET (0.39) EGFRERBB2JAK3ERBB4PIP4K2A
SCHEMBL14213726 0.81 EGFR (0.36) EGFRERBB2JAK3ERBB4PIP4K2A
SCHEMBL13542519 0.81 EGFR (0.39) EGFRERBB2JAK3ERBB4KDR
SCHEMBL13541421 0.81 MET (0.40) EGFRERBB2JAK3ERBB4PIP4K2A
SCHEMBL13541424 0.81 JAK3 (0.36) EGFRERBB2JAK3ERBB4PIP4K2A

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 EGFR 1981/4885ERBB2 918/4885JAK3 439/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885JAK3 439/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885JAK3 439/4885

“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.