SCHEMBL4149117

SCHEMBL4149117

CCOC(=O)c1cnc(N2CCOCC2)nc1Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.60
POLB P06746 3/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALOX15 P16050 1/20 0.52
TP53 P04637 2/20 0.49
ADORA1 P30542 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48

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
SCHEMBL30830270 0.90 CYP1A2 (0.64) CYP1A2POLBCYP2C9CYP2C19L3MBTL1
SCHEMBL26984371 0.90 CYP1A2 (0.64) CYP1A2POLBCYP2C9CYP2C19L3MBTL1
SCHEMBL4147345 0.88 KDM4E (0.50) CYP1A2POLBCYP2C9CYP2C19L3MBTL1
SCHEMBL4139569 0.85 KDM4E (0.47) CYP1A2POLBCYP2C9CYP2C19L3MBTL1
SCHEMBL13696639 0.85 KDM4E (0.59) POLBL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL242697 0.80 KDM4E (0.61) POLBL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL5740076 0.79 PIK3CA (0.55) CYP1A2POLBCYP2C9CYP2C19L3MBTL1
SCHEMBL244096 0.79 KDM4E (0.60) POLBL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL244184 0.79 KDM4E (0.66) L3MBTL1ALDH1A1LMNAKDM4EALOX15
SCHEMBL4144307 0.78 PIK3CD (0.59) POLBL3MBTL1ALDH1A1LMNAKDM4E

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 CYP1A2 1815/4885POLB 862/4885CYP2C9 881/4885

“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.