SCHEMBL16375259

SCHEMBL16375259

CC(C)c1ncnc2c1c(C(C)C)nn2C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.44
ABL1 P00519 12/20 0.44
PIK3CD O00329 9/20 0.44
PIK3CA P42336 9/20 0.44
PIK3CB P42338 9/20 0.44
PIK3CG P48736 9/20 0.44
PRKDC P78527 9/20 0.44
EGFR P00533 8/20 0.44
HCK P08631 8/20 0.44
KDR P35968 8/20 0.44
MTOR P42345 8/20 0.44
EPHB4 P54760 8/20 0.44
PI4KB Q9UBF8 7/20 0.44
RET P07949 7/20 0.43

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
SCHEMBL6925165 0.84 SRC (0.58) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL18216976 0.75 SRC (0.42) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL16375258 0.69 RET (0.40) KDRRET
SCHEMBL15079234 0.69 KDM4E (0.40) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL10261918 0.69 SRC (0.66) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL16375264 0.67 RET (0.36) RET
SCHEMBL5147544 0.67 ABL1 (0.41) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL27217868 0.67 ABL1 (0.43) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14692449 0.67 ABL1 (0.58) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL868687 0.67 ABL1 (0.58) SRCABL1PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458162-B2 Cyclic molecules as bruton's tyrosine kinase inhibitors NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-10-04 US disclosed
US-20150011530-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2015-01-08 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 (1 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-20150011530-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, PRKACA SRC 12/4885ABL1 1/4885PIK3CD 413/4885

“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.