SCHEMBL14213731

SCHEMBL14213731

Cc1cccc(Nc2cc(Nc3cccc(NC(=O)/C=C/CN(C)CCOCCOCCN=[N+]=[N-])c3)ncn2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 9/20 0.54
PIP4K2B P78356 9/20 0.54
EGFR P00533 9/20 0.46
ERBB2 P04626 3/20 0.46
ITK Q08881 3/20 0.45
PIP4K2C Q8TBX8 1/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40
JAK3 P52333 1/20 0.39

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
SCHEMBL13541428 0.99 PIP4K2A (0.55) PIP4K2APIP4K2BEGFRERBB2ITK
SCHEMBL16158633 0.92 PIP4K2A (0.46) PIP4K2APIP4K2BEGFRERBB2ITK
SCHEMBL13542732 0.90 PIP4K2A (0.51) PIP4K2APIP4K2BEGFRERBB2ITK
SCHEMBL14213727 0.89 PIP4K2A (0.51) PIP4K2APIP4K2BEGFRERBB2ITK
SCHEMBL14213728 0.88 PIP4K2A (0.48) PIP4K2APIP4K2BEGFRERBB2
SCHEMBL13541425 0.88 PIP4K2A (0.52) PIP4K2APIP4K2BEGFRERBB2ITK
SCHEMBL13541429 0.88 PIP4K2A (0.49) PIP4K2APIP4K2BEGFRERBB2
SCHEMBL14773120 0.86 PIP4K2A (0.48) PIP4K2APIP4K2BEGFRERBB2ITK
SCHEMBL13542769 0.84 PIP4K2A (0.46) PIP4K2APIP4K2BEGFRERBB2PIP4K2C
SCHEMBL13542731 0.84 EGFR (0.47) PIP4K2APIP4K2BEGFRERBB2JAK3

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 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 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.