SCHEMBL98394

SCHEMBL98394

CCc1nc2c(N3CCOCC3)nc(SCc3ccc(OC)c(F)c3)nc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
PIK3CA P42336 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 3/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PIK3CD O00329 4/20 0.38
PDE10A Q9Y233 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSF1R P07333 1/20 0.37
KIT P10721 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PIK3CB P42338 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 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
SCHEMBL100087 0.92 PIK3CA (0.46) ALDH1A1PIK3CAL3MBTL1NPSR1HDAC1
SCHEMBL95758 0.91 PIK3CA (0.46) ALDH1A1PIK3CAL3MBTL1NPSR1HDAC1
SCHEMBL98835 0.91 ALDH1A1 (0.45) ALDH1A1L3MBTL1NPSR1TDP1HDAC1
SCHEMBL97744 0.90 PIK3CA (0.45) ALDH1A1PIK3CAL3MBTL1NPSR1TDP1
SCHEMBL98503 0.90 PIK3CA (0.44) ALDH1A1PIK3CAL3MBTL1NPSR1HDAC1
SCHEMBL98098 0.90 PIK3CA (0.49) ALDH1A1PIK3CAL3MBTL1NPSR1HDAC1
SCHEMBL97915 0.90 ALDH1A1 (0.46) ALDH1A1PIK3CAL3MBTL1NPSR1HDAC1
SCHEMBL1620494 0.90 ALDH1A1 (0.41) ALDH1A1PIK3CAL3MBTL1TDP1NPC1
SCHEMBL99008 0.89 PIK3CA (0.46) ALDH1A1PIK3CAL3MBTL1NPSR1HDAC1
SCHEMBL97922 0.88 PIK3CA (0.43) ALDH1A1PIK3CAL3MBTL1NPSR1HDAC1

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 15 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
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 ALDH1A1 336/4885PIK3CA 1539/4885L3MBTL1 4172/4885

“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.