SCHEMBL98240

SCHEMBL98240

CCc1nc2c(N3CCOCC3)nc(SCc3ccc(CF)cc3)nc2n1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.50
PIK3CD O00329 9/20 0.42
PIK3R1 P27986 1/20 0.42
HDAC1 Q13547 2/20 0.42
PDE10A Q9Y233 1/20 0.42
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PIK3CB P42338 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.39
SRC P12931 1/20 0.39
FLT3 P36888 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL97732 0.94 PIK3CA (0.53) PIK3CAPIK3CDPIK3R1HDAC1PDE10A
SCHEMBL98759 0.91 PIK3CA (0.51) PIK3CAPIK3CDPIK3R1HDAC1PDE10A
SCHEMBL98579 0.90 PIK3CA (0.50) PIK3CAPIK3CDPIK3R1HDAC1PDE10A
SCHEMBL101086 0.90 PIK3CA (0.50) PIK3CAPIK3CDPIK3R1HDAC1PDE10A
SCHEMBL101395 0.89 PIK3CA (0.50) PIK3CAPIK3CDPIK3R1HDAC1PDE10A
SCHEMBL99732 0.89 PIK3CA (0.49) PIK3CAPIK3CDPIK3R1HDAC1PDE10A
SCHEMBL98635 0.88 ALDH1A1 (0.52) PIK3CAPIK3CDPIK3R1HDAC1PDE10A
SCHEMBL98710 0.88 PIK3CA (0.48) PIK3CAPIK3CDPIK3R1HDAC1PDE10A
SCHEMBL10192252 0.87 PIK3CA (0.48) PIK3CAPIK3CDPIK3R1HDAC1PDE10A
SCHEMBL99717 0.87 PIK3CA (0.48) PIK3CAPIK3CDPIK3R1HDAC1PDE10A

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 14 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
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
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
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
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US 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
WO-2010126101-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME 全薬工業株式会社 (JP) 2010-11-04 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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME PNP, TYMP, DPYD PIK3CA 1539/4885PIK3CD 2513/4885PIK3R1 3785/4885

“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.