SCHEMBL12388697

SCHEMBL12388697

CCc1cc(Nc2cccc(NC(C)=O)n2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
LCK P06239 2/20 0.43
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
KCNH2 Q12809 2/20 0.40
SCN5A Q14524 2/20 0.40
CACNA1C Q13936 1/20 0.40
EGFR P00533 3/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TYK2 P29597 1/20 0.38
OGA O60502 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL12388703 0.82 EGFR (0.56) L3MBTL1EGFRRAB9AERBB3
SCHEMBL12388692 0.79 EGFR (0.40) KDM4ELCKKCNH2SCN5ACACNA1C
SCHEMBL7895323 0.77 MAPK8 (0.59) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL821844 0.74 KDM4E (0.71) MAPK8L3MBTL1KDM4ELMNAHSP90AA1
SCHEMBL24271910 0.70 MAPK8 (1.00) MAPK8L3MBTL1KDM4ELMNAHSP90AA1
SCHEMBL12388686 0.69 EGFR (0.50) LMNAEGFRERBB3
SCHEMBL27697741 0.67 KDM4E (0.57) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL22240245 0.67 L3MBTL1 (0.44) L3MBTL1LCK
SCHEMBL25692333 0.67 L3MBTL1 (0.44) MAPK8L3MBTL1LCKSMN1; SMN2TYK2
SCHEMBL29751774 0.67 XIAP (0.65) MAPK8L3MBTL1KDM4ELMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989465-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-08-02 US disclosed
US-7982036-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-07-19 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 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-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPK8 4555/4885L3MBTL1 3899/4885KDM4E 3792/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPK8 4555/4885L3MBTL1 3899/4885KDM4E 3792/4885

“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.