SCHEMBL1014816

SCHEMBL1014816

CCOC(=O)c1cnc(N2CCOCC2)nc1C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
ALOX15 P16050 1/20 0.55
HSD11B1 P28845 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.49
PKM P14618 1/20 0.48
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PIK3CA P42336 1/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
POLB P06746 2/20 0.46
CNR2 P34972 1/20 0.46
DYRK1A Q13627 1/20 0.44

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
SCHEMBL242697 0.83 KDM4E (0.61) KDM4EALOX15L3MBTL1PKMTP53
SCHEMBL1014459 0.83 HSD11B1 (0.58) KDM4EHSD11B1HSD17B10ALDH1A1PIK3CA
SCHEMBL1015481 0.83 HSD11B1 (0.58) KDM4EHSD11B1HSD17B10ALDH1A1PIK3CA
SCHEMBL244096 0.82 KDM4E (0.60) KDM4EALOX15L3MBTL1PKMTP53
SCHEMBL244184 0.82 KDM4E (0.66) KDM4EALOX15L3MBTL1PKMTP53
SCHEMBL1015144 0.82 HSD11B1 (0.59) HSD11B1HSD17B10ALDH1A1POLBSMN1; SMN2
SCHEMBL1018223 0.82 HSD11B1 (0.58) KDM4EHSD11B1MAPK1HSD17B10ALDH1A1
SCHEMBL13696639 0.81 KDM4E (0.59) KDM4EALOX15L3MBTL1PKMTP53
SCHEMBL5448414 0.81 NR2F2 (0.59) KDM4EALOX15PKMTP53MAPK1
SCHEMBL17832272 0.81 MAPT (0.48) KDM4ELMNAALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 KDM4E 1727/4885ALOX15 242/4885HSD11B1 2/4885

“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.