SCHEMBL99288

SCHEMBL99288

CCc1nc2c(N3CCOCC3)nc(SCc3ccc(OC)c(NC(=O)C(C)(C)C)c3)nc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
HDAC1 Q13547 6/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CD O00329 4/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE11A Q9HCR9 2/20 0.39
PIK3CB P42338 1/20 0.39
KMT2A Q03164 2/20 0.38
PDE3B Q13370 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 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
SCHEMBL98839 0.92 MAPT (0.43) HDAC1TP53MAPTPIK3CAPIK3CD
SCHEMBL100419 0.92 TP53 (0.42) HDAC1TP53MAPTPIK3CAPIK3CD
SCHEMBL97899 0.92 MAPT (0.45) HDAC1TP53MAPTPIK3CAPDE4A
SCHEMBL99255 0.90 HDAC1 (0.45) HDAC1TP53MAPTPIK3CAPIK3CD
SCHEMBL1620501 0.90 MAPT (0.44) HDAC1TP53MAPTPIK3CAPDE4A
SCHEMBL97115 0.90 TP53 (0.44) HDAC1TP53MAPTPIK3CAPDE4A
SCHEMBL97878 0.90 KMT2A (0.42) HDAC1TP53MAPTPIK3CAPIK3CD
Hydrochloric Acid SCHEMBL99386 0.90 TP53 (0.43) HDAC1TP53MAPTPIK3CAPDE4A
SCHEMBL98150 0.88 MAPT (0.40) HDAC1TP53MAPTPIK3CAPIK3CD
SCHEMBL98271 0.88 HDAC1 (0.47) HDAC1TP53MAPTPIK3CAPDE4A

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 GAA 1224/4885HDAC1 3179/4885TP53 87/4885

“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.