SCHEMBL4139569

SCHEMBL4139569

CCOC(=O)c1cnc(N2CCOCC2)nc1Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.46
POLB P06746 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42
PIK3CD O00329 1/20 0.42
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4144264 0.87 PIK3CD (0.45) KDM4EPOLBL3MBTL1ALDH1A1PIK3CD
SCHEMBL4149117 0.85 CYP1A2 (0.60) KDM4EALOX15POLBCYP1A2CYP2C9
SCHEMBL4147345 0.83 KDM4E (0.50) KDM4EALOX15POLBCYP1A2CYP2C9
SCHEMBL4144307 0.82 PIK3CD (0.59) KDM4EALOX15POLBL3MBTL1ALDH1A1
SCHEMBL13696639 0.78 KDM4E (0.59) KDM4EALOX15POLBL3MBTL1ALDH1A1
SCHEMBL26984371 0.78 CYP1A2 (0.64) KDM4EPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL30830270 0.78 CYP1A2 (0.64) KDM4EPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL1014816 0.77 KDM4E (0.57) KDM4EALOX15POLBL3MBTL1ALDH1A1
SCHEMBL4147258 0.74 NR2F2 (0.65) KDM4EALOX15POLBALDH1A1LMNA
SCHEMBL242697 0.74 KDM4E (0.61) KDM4EALOX15POLBL3MBTL1ALDH1A1

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 2 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

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 KDM4E 2264/4885ALOX15 1762/4885POLB 862/4885

“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.