SCHEMBL4932404

SCHEMBL4932404

Cc1n[nH]c2ncnc(O)c12

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
EPHB4 P54760 1/20 0.31
PRKDC P78527 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
YTHDC1 Q96MU7 1/20 0.31
YTHDF2 Q9Y5A9 1/20 0.31

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
SCHEMBL12647317 0.81 YTHDC1 (0.33) SMN1; SMN2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1598752 0.78 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL1128551 0.76 CHEK1 (0.43) ABL1EGFRSRCYTHDC1YTHDF2
SCHEMBL6433606 0.76
SCHEMBL4923299 0.76
SCHEMBL13019649 0.74 YTHDC1 (0.49) SMN1; SMN2ABL1EGFRSRCYTHDC1
SCHEMBL9918631 0.73 CCR4 (0.44) SMN1; SMN2PIK3CDABL1EGFRHCK
SCHEMBL4925835 0.73 HCAR2 (0.33)
SCHEMBL4725741 0.72
SCHEMBL18708840 0.71 LRRK2 (0.46) SMN1; SMN2EGFRYTHDC1YTHDF2

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-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 WO 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 SMN1; SMN2 2171/4885PIK3CD 133/4885ABL1 544/4885

“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.