SCHEMBL4148799

SCHEMBL4148799

CCOC(=O)c1cnc(N2CCOCC2)nc1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53
RAB9A P51151 2/20 0.49
PAX8 Q06710 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MITF O75030 1/20 0.44
MAPT P10636 2/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
CNR2 P34972 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL13696639 0.79 KDM4E (0.59) LMNAKMT2AL3MBTL1KDM4EALOX15
SCHEMBL4140948 0.78 L3MBTL1 (0.52) LMNAKMT2ARAB9AL3MBTL1MAOB
SCHEMBL4154386 0.77 L3MBTL1 (0.51) LMNANPC1KMT2ARAB9AL3MBTL1
SCHEMBL4149117 0.76 CYP1A2 (0.60) LMNAKMT2AL3MBTL1KDM4EALOX15
SCHEMBL242697 0.75 KDM4E (0.61) LMNAKMT2AL3MBTL1KDM4EALOX15
SCHEMBL14590419 0.74 MAPT (0.59) LMNANPC1KMT2AL3MBTL1KDM4E
SCHEMBL244184 0.74 KDM4E (0.66) LMNANPC1KMT2ARAB9AL3MBTL1
SCHEMBL244096 0.74 KDM4E (0.60) LMNAKMT2AL3MBTL1KDM4EALOX15
SCHEMBL4144307 0.73 PIK3CD (0.59) LMNANPC1KMT2ARAB9AL3MBTL1
SCHEMBL4147345 0.73 KDM4E (0.50) LMNAL3MBTL1KDM4EALOX15ALDH1A1

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
US-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) WARNER-LAMBERT COMPANY LLC 2009-09-10 US disclosed
EP-1682532-B1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
EP-1682532-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) Warner-Lambert Company LLC (US) 2006-07-26 EP disclosed
WO-2005042519-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE -3-KINASES (PI3K) WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 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-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) PIK3CA, PIK3CD, PIK3R5 LMNA 4458/4885THRB 1913/4885NPC1 3204/4885

“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.