SCHEMBL6627240

SCHEMBL6627240

CN1CCN(c2nc(N3CCOCC3)nc(-n3cnc4ccccc43)n2)CC1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 9/20 0.85
PIK3CD O00329 4/20 0.54
PIK3CA P42336 3/20 0.54
PIK3CG P48736 3/20 0.54
HRH4 Q9H3N8 3/20 0.54
LCK P06239 2/20 0.50
MKNK1 Q9BUB5 2/20 0.49
PIK3C2B O00750 1/20 0.48
PIK3R1 P27986 1/20 0.48
MTOR P42345 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MKNK2 Q9HBH9 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR3A P46098 1/20 0.46

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
SCHEMBL6629606 0.92 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6625427 0.92 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6625425 0.89 PIK3CB (0.67) PIK3CBPIK3CDHRH4LCKMKNK1
SCHEMBL20078072 0.89 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL3594472 0.87 PIK3CB (0.90) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL927196 0.86 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGHRH4
SCHEMBL6626404 0.86 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL931986 0.85 PIK3CB (0.81) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6623601 0.85 PIK3CB (0.81) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6626263 0.85 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGLCK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040912-A1 PIPERAZINOTRIAZINES AS PI3K INHIBITORS FOR USE IN THE TREATMENT ANTIPROLIFERATIVE DISORDERS UNIVERSITY OF BASEL (CH) 2013-02-14 US disclosed
US-20130040912-A1 PIPERAZINOTRIAZINES AS PI3K INHIBITORS FOR USE IN THE TREATMENT ANTIPROLIFERATIVE DISORDERS UNIVERSITY OF BASEL (CH) 2013-02-14 US disclosed
WO-2011135520-A1 PIPERAZINOTRIAZINES AS PI3K INHIBITORS FOR USE IN THE TREATMENT ANTIPROLIFERATIVE DISORDERS UNIVERSITY OF BASEL (CH) 2011-11-03 WO disclosed
EP-1020462-B1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2004-02-11 EP disclosed
US-6251900-B1 Heterocyclic compounds and antitumor agent containing the same as active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2001-06-26 US disclosed
CN-1271355-A Heterocyclic compounds and antitumor agent containing the same as active ingredient ZENYADKU KOGYO K K (JP) 2000-10-25 CN disclosed
EP-1020462-A1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 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-20130040912-A1 PIPERAZINOTRIAZINES AS PI3K INHIBITORS FOR USE IN THE TREATMENT ANTIPROLIFERATIVE DISORDERS CDK4, MTOR, RPTOR PIK3CB 41/4885PIK3CD 25/4885PIK3CA 11/4885

“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.