SCHEMBL2377249

SCHEMBL2377249

CC(C)(C)OC(=O)N(CCN1CCOCC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
KMT2A Q03164 4/20 0.46
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CASR P41180 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MTOR P42345 1/20 0.41
IRAK1 P51617 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
MGLL Q99685 1/20 0.41
PHGDH O43175 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2379512 0.88 KCNJ1 (0.45) KMT2ASIGMAR1ALDH1A1KDM4EMEN1
SCHEMBL2376268 0.84 CASR (0.44) KMT2AALDH1A1CASRMEN1LMNA
SCHEMBL26640154 0.83 KMT2A (0.45) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL26641031 0.83 KMT2A (0.44) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL2378594 0.82 ALDH1A1 (0.49) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL16943231 0.80 MAPT (0.43) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL30648733 0.78 NPC1 (0.41) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL26641005 0.78 NPC1 (0.41) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL2376808 0.77 CD274 (0.42) KMT2AALDH1A1KDM4ECASRMEN1
SCHEMBL7560433 0.77 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EMEN1LMNA

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 HTR7 3606/4885KMT2A 2799/4885SIGMAR1 1921/4885

“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.