SCHEMBL98967

SCHEMBL98967

CCc1nc2c(N3CCOCC3)nc(SC(Cc3ccccc3)C3=COCO3)nc2n1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
PDE10A Q9Y233 1/20 0.40
PIK3CD O00329 11/20 0.39
PIK3CB P42338 2/20 0.37
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.34
CASP1 P29466 1/20 0.34
SRC P12931 1/20 0.34
HDAC1 Q13547 1/20 0.34
PIK3CG P48736 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL97827 0.79 PIK3CA (0.51) PIK3CAPDE10APIK3CDPIK3CBKDM4E
SCHEMBL97732 0.72 PIK3CA (0.53) PIK3CAPDE10APIK3CDPIK3CBKDM4E
SCHEMBL97877 0.70 PIK3CA (0.47) PIK3CAPDE10APIK3CDPIK3CBHDAC1
SCHEMBL98759 0.69 PIK3CA (0.51) PIK3CAPDE10APIK3CDPIK3CBALDH1A1
SCHEMBL97867 0.69 PIK3CA (0.42) PIK3CAPDE10APIK3CDPIK3CBKDM4E
SCHEMBL98966 0.69 PIK3CA (0.46) PIK3CAPDE10APIK3CDPIK3CBKDM4E
SCHEMBL98579 0.69 PIK3CA (0.50) PIK3CAPDE10APIK3CDPIK3CBKDM4E
SCHEMBL98240 0.69 PIK3CA (0.50) PIK3CAPDE10APIK3CDPIK3CBKDM4E
SCHEMBL101086 0.69 PIK3CA (0.50) PIK3CAPDE10APIK3CDPIK3CBALDH1A1
SCHEMBL99732 0.68 PIK3CA (0.49) PIK3CAPDE10APIK3CDPIK3CBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US claimed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP claimed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US claimed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 EP claimed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US disclosed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 EP 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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME PNP, TYMP, DPYD PIK3CA 1539/4885PDE10A 775/4885PIK3CD 2513/4885

“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.