SCHEMBL10445129

SCHEMBL10445129

CCc1ncnc2c1c(C(C)(C)C)nn2CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.38
PRKDC P78527 2/20 0.38
KDR P35968 4/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
CYP1A2 P05177 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10266747 0.88 PIK3CD (0.35) PIK3CDPRKDCKDRABL1EGFR
SCHEMBL462054 0.82 PIK3CD (0.39) PIK3CDPRKDCKDRABL1EGFR
SCHEMBL10457496 0.81 SRC (0.42) PIK3CDPRKDCKDRABL1EGFR
SCHEMBL10261882 0.72 SRC (0.41) PIK3CDPRKDCKDRABL1EGFR
SCHEMBL14614232 0.70 XDH (0.38) ABL1XDH
SCHEMBL3490944 0.69 SRC (0.43) PIK3CDPRKDCKDRABL1EGFR
SCHEMBL12311184 0.69 ADORA2A (0.34) PI4KBRET
SCHEMBL15788906 0.66 KMT2A (0.44) PIK3CDPRKDCKDRABL1EGFR
SCHEMBL3265508 0.65
SCHEMBL18588933 0.65 ATG7 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-19 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 (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-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PIK3CD 810/4885PRKDC 4/4885KDR 1295/4885

“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.