SCHEMBL97923

SCHEMBL97923

CCc1nc2c(N3CCOCC3)nc(SCc3ccc(OC)c(I)c3)nc2n1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.41
ALDH1A1 P00352 6/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
HDAC1 Q13547 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE11A Q9HCR9 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34

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 0.90 PDE10A (0.41) PDE10AALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL98835 0.90 ALDH1A1 (0.45) PDE10AALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL98435 0.88 CSF1R (0.41) PDE10AALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL97311 0.84 PDE10A (0.42) PDE10AALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL97713 0.84 PDE10A (0.42) PDE10AALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL95758 0.82 PIK3CA (0.46) PDE10AALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL97744 0.81 PIK3CA (0.45) PDE10AALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL98394 0.80 ALDH1A1 (0.45) PDE10AALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL98098 0.80 PIK3CA (0.49) PDE10AALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL98503 0.80 PIK3CA (0.44) PDE10AALDH1A1NPSR1L3MBTL1LMNA

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 775/4885ALDH1A1 336/4885NPSR1 2537/4885

“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.