SCHEMBL20030132

SCHEMBL20030132

O=C(c1nc2c(N3CCOCC3)nc(Cl)nc2n1C1CCCCO1)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.49
HRH3 Q9Y5N1 3/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.36
PIK3R1 P27986 1/20 0.35
PIK3CG P48736 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35

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
SCHEMBL10007881 0.85 HDAC1 (0.39) PIK3CDPIK3R1
SCHEMBL18123307 0.85 PIK3CD (0.44) PIK3CDL3MBTL3L3MBTL1EPHX2PIK3CG
SCHEMBL18123517 0.83 PIK3CD (0.46) PIK3CDL3MBTL3L3MBTL1
SCHEMBL9937580 0.83 HDAC1 (0.42) PIK3CD
SCHEMBL18123512 0.83 PIK3CD (0.68) PIK3CDHRH3L3MBTL3L3MBTL1PIK3R1
SCHEMBL12268013 0.82 HDAC1 (0.39) PIK3CD
SCHEMBL21523566 0.82 HDAC1 (0.38) PIK3CDHRH3
SCHEMBL18123513 0.82 PIK3CD (0.54) PIK3CDHRH3L3MBTL3L3MBTL1PIK3R1
SCHEMBL9937201 0.82 HDAC1 (0.36) PIK3CDHRH3
SCHEMBL18114714 0.80 P2RY12 (0.38) PIK3CDL3MBTL1

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-10822336-B2 Crystals of [2-(1-methyl-1H-pyrazol-4-yl)-6(morpholin-4-yl)-9H-purin-8-yl][4-(morpholin-4-yl)piperidin-1-yl]methanone and pharmaceutically acceptable salt thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-03 US disclosed
US-10822336-B2 Crystals of [2-(1-methyl-1H-pyrazol-4-yl)-6(morpholin-4-yl)-9H-purin-8-yl][4-(morpholin-4-yl)piperidin-1-yl]methanone and pharmaceutically acceptable salt thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-03 US disclosed
EP-3521290-A1 CRYSTALS OF [2-(1-METHYL-1H-PYRAZOL-4-YL)-6-(MORPHOLIN-4-YL)-9H-PURIN-8-YL][4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]METHANONE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-08-07 EP disclosed
EP-3521290-A1 CRYSTALS OF [2-(1-METHYL-1H-PYRAZOL-4-YL)-6-(MORPHOLIN-4-YL)-9H-PURIN-8-YL][4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]METHANONE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-08-07 EP disclosed
US-20190225614-A1 CRYSTALS OF [2-(1-METHYL-1H-PYRAZOL-4-YL)-6(MORPHOLIN-4-YL)-9H-PURIN-8-YL][4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]METHANONE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-07-25 US disclosed
US-20190225614-A1 CRYSTALS OF [2-(1-METHYL-1H-PYRAZOL-4-YL)-6(MORPHOLIN-4-YL)-9H-PURIN-8-YL][4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]METHANONE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-07-25 US disclosed
WO-2018062382-A1 CRYSTALS OF [2-(1-METHYL-1H-PYRAZOL-4-YL)-6-(MORPHOLIN-4-YL)-9H-PURIN-8-YL][4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]METHANONE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 第一三共株式会社 2018-04-05 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 (2 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-20190225614-A1 CRYSTALS OF [2-(1-METHYL-1H-PYRAZOL-4-YL)-6(MORPHOLIN-4-YL)-9H-PURIN-8-YL][4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]METHANONE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CMPK1, SYMPK, MCOLN2 PIK3CD 2867/4885HRH3 2219/4885L3MBTL3 4636/4885
US-10822336-B2 Crystals of [2-(1-methyl-1H-pyrazol-4-yl)-6(morpholin-4-yl)-9H-purin-8-yl][4-(morpholin-4-yl)piperidin-1-yl]methanone and pharmaceutically acceptable salt thereof CMPK1, SYMPK, MCOLN2 PIK3CD 2867/4885HRH3 2219/4885L3MBTL3 4636/4885

“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.