SCHEMBL12310575

SCHEMBL12310575

Cc1cc(Nc2cc(Nc3cccc(NC(=O)/C=C/CN(C)C)c3)ncn2)ccc1F

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 10/20 0.70
PIP4K2B P78356 10/20 0.70
ITK Q08881 3/20 0.57
EGFR P00533 8/20 0.57
JAK3 P52333 1/20 0.55
PIP4K2C Q8TBX8 1/20 0.55
PIKFYVE Q9Y2I7 1/20 0.55
ERBB2 P04626 3/20 0.54
ERBB4 Q15303 1/20 0.51
KDR P35968 1/20 0.51
BTK Q06187 1/20 0.49

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
SCHEMBL691105 0.90 PIP4K2A (0.66) PIP4K2APIP4K2BITKEGFRPIP4K2C
SCHEMBL691106 0.90 PIP4K2A (0.66) PIP4K2APIP4K2BITKEGFRPIP4K2C
SCHEMBL14773009 0.88 PIP4K2A (0.64) PIP4K2APIP4K2BITKEGFRJAK3
SCHEMBL690942 0.87 PIP4K2A (0.76) PIP4K2APIP4K2BITKEGFRJAK3
SCHEMBL690941 0.87 PIP4K2A (0.76) PIP4K2APIP4K2BITKEGFRJAK3
SCHEMBL12262340 0.83 PIP4K2A (0.59) PIP4K2APIP4K2BITKEGFRPIP4K2C
SCHEMBL690518 0.83 EGFR (0.61) PIP4K2APIP4K2BEGFRERBB2ERBB4
SCHEMBL690519 0.83 EGFR (0.61) PIP4K2APIP4K2BEGFRERBB2ERBB4
SCHEMBL12510765 0.82 EGFR (0.62) PIP4K2APIP4K2BEGFRJAK3ERBB2
SCHEMBL690096 0.82 PIP4K2A (0.72) PIP4K2APIP4K2BITKEGFRJAK3

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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 US disclosed
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 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
US-7982036-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-07-19 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 (2 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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885ITK 2697/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885ITK 2697/4885

“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.