SCHEMBL97311

SCHEMBL97311

CCOc1ccc(CSc2nc(N3CCOCC3)c3nc(CC)n(CC)c3n2)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.42
PIK3CA P42336 2/20 0.40
HDAC1 Q13547 6/20 0.37
ALDH1A1 P00352 6/20 0.36
PIK3R1 P27986 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PIK3CD O00329 1/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HIF1A Q16665 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 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
SCHEMBL99679 0.92 PDE10A (0.41) PDE10APIK3CAHDAC1ALDH1A1PIK3R1
SCHEMBL99069 0.91 PIK3CA (0.50) PDE10APIK3CAHDAC1ALDH1A1PIK3R1
SCHEMBL97793 0.91 CYP3A4 (0.41) PDE10AALDH1A1PIK3R1KDM4EGAA
SCHEMBL97713 0.90 PDE10A (0.42) PDE10APIK3CAHDAC1ALDH1A1PIK3R1
SCHEMBL98984 0.84 PIK3CA (0.49) PDE10APIK3CAHDAC1ALDH1A1PIK3R1
SCHEMBL97923 0.84 PDE10A (0.41) PDE10APIK3CAHDAC1ALDH1A1PIK3R1
SCHEMBL98835 0.84 ALDH1A1 (0.45) PDE10AHDAC1ALDH1A1PIK3R1KDM4E
SCHEMBL98827 0.84 PIK3CA (0.46) PDE10APIK3CAHDAC1ALDH1A1PIK3R1
SCHEMBL98098 0.83 PIK3CA (0.49) PDE10APIK3CAHDAC1ALDH1A1PIK3R1
SCHEMBL98435 0.83 CSF1R (0.41) PDE10APIK3CAHDAC1ALDH1A1KDM4E

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 11 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
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

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 PDE10A 775/4885PIK3CA 1539/4885HDAC1 3179/4885

“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.