SCHEMBL461761

SCHEMBL461761

CNc1ncnc2c1c(-c1cc(O)cc(O)c1)cn2C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.55
▸ PIK3CB P42338 2/20 0.55
▸ PIK3CG P48736 2/20 0.55
▸ PIK3CA P42336 1/20 0.55
▸ PRKDC P78527 1/20 0.55
▸ SRC P12931 2/20 0.48
▸ EGFR P00533 1/20 0.48
▸ KDR P35968 10/20 0.41
▸ TEK Q02763 7/20 0.41
▸ LCK P06239 5/20 0.40
▸ RET P07949 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FLT3 P36888 1/20 0.37
▸ CCNB2 O95067 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ CCNB3 Q8WWL7 2/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ TP53 P04637 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
SCHEMBL407957 0.93 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL409561 0.92 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL409458 0.90 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL409452 0.89 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL441740 0.89 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL461766 0.83 PIK3CD (0.56) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL409453 0.79 PIK3CD (0.58) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL407932 0.76 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL407929 0.75 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL18868077 0.75 PIK3CD (0.69) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC

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-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 — — US disclosed
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 — — 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-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CB 1902/4885PIK3CG 2058/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CB 1902/4885PIK3CG 2058/4885

“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.

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