SCHEMBL14617751

SCHEMBL14617751

Cc1coc(-c2nn(C3CCCC3)c3ncnc(Cl)c23)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.45
KDR P35968 17/20 0.45
PIK3CA P42336 17/20 0.45
PIK3CB P42338 17/20 0.45
PIK3CG P48736 17/20 0.45
PRKDC P78527 17/20 0.45
ABL1 P00519 16/20 0.45
EGFR P00533 16/20 0.45
HCK P08631 16/20 0.45
SRC P12931 16/20 0.45
MTOR P42345 16/20 0.45
EPHB4 P54760 16/20 0.45
PI4KB Q9UBF8 10/20 0.45
RET P07949 3/20 0.41

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
SCHEMBL14617731 0.86 PIK3CD (0.57) PIK3CDKDRPIK3CAPIK3CBPIK3CG
SCHEMBL17264223 0.82 RET (0.46) PIK3CDKDRPIK3CAPIK3CBPIK3CG
SCHEMBL17090642 0.80 BTK (0.55) PIK3CDKDRPIK3CAPIK3CBPIK3CG
SCHEMBL21057449 0.75 KDM4E (0.52) PIK3CDKDRPIK3CAPIK3CBPIK3CG
SCHEMBL17265759 0.72 BTK (0.52) PIK3CDKDRPIK3CAPIK3CBPIK3CG
SCHEMBL14617730 0.68 RET (0.62) PIK3CDKDRPIK3CAPIK3CBPIK3CG
SCHEMBL17264222 0.68 RET (0.46) PIK3CDKDRPIK3CAPIK3CBPIK3CG
SCHEMBL14617721 0.68 BTK (0.57) PIK3CDKDRPIK3CAPIK3CBPIK3CG
SCHEMBL17090621 0.68 BTK (0.71) PIK3CDKDRPIK3CAPIK3CBPIK3CG
SCHEMBL21057281 0.67 KDR (0.43) PIK3CDKDRPIK3CAPIK3CBPIK3CG

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-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 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-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PIK3CD 534/4885KDR 983/4885PIK3CA 520/4885

“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.