SCHEMBL2376808

SCHEMBL2376808

CC(C)(C)OC(=O)N(CCN1CCOCC1)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.42
EPHX2 P34913 8/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CASR P41180 1/20 0.39
MLYCD O95822 3/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL2376840 0.93 CD274 (0.41) CD274KMT2AMEN1MLYCDKDM4E
SCHEMBL2376268 0.87 CASR (0.44) CD274EPHX2KMT2AMEN1CASR
SCHEMBL2379512 0.84 KCNJ1 (0.45) KMT2AMEN1KDM4EALDH1A1
SCHEMBL26640175 0.84 EPHX2 (0.44) CD274EPHX2KMT2AMEN1CASR
SCHEMBL26640869 0.83 RAB9A (0.39) CD274EPHX2KMT2AMEN1CASR
SCHEMBL2384000 0.82 MAPK1 (0.44) CD274KMT2AMEN1CASRKDM4E
SCHEMBL18011040 0.81 CYP3A4 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL12248100 0.79 ALDH1A1 (0.39) CD274KMT2AMEN1MLYCDKDM4E
SCHEMBL2378594 0.78 ALDH1A1 (0.49) KMT2AMEN1KDM4EALDH1A1
SCHEMBL30648711 0.78 RAB9A (0.40) EPHX2KMT2AMEN1CASRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 CD274 1639/4885EPHX2 3337/4885KMT2A 2799/4885

“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.