SCHEMBL1015076

SCHEMBL1015076

CC(C)(C)c1nc(N2CCOCC2)ncc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.57
POLB P06746 2/20 0.55
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
PTPN11 Q06124 1/20 0.49
CNR2 P34972 1/20 0.46
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMO O15229 1/20 0.42
USP2 O75604 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
SCHEMBL1012134 0.83 KDM4E (0.58) HSD11B1POLBALDH1A1KDM4ECNR2
SCHEMBL1013949 0.82 POLB (0.59) HSD11B1POLBALDH1A1KDM4EPTPN11
SCHEMBL8085653 0.79 POLB (0.59) HSD11B1POLBALDH1A1KDM4EPTPN11
SCHEMBL27533652 0.79 POLB (0.59) HSD11B1POLBALDH1A1KDM4EPTPN11
SCHEMBL245978 0.79 PTPN11 (0.69) POLBALDH1A1KDM4EPTPN11KMT2A
SCHEMBL4140688 0.79 POLB (0.49) HSD11B1POLBALDH1A1KDM4EPTPN11
SCHEMBL1016233 0.78 HSD11B1 (0.82) HSD11B1PTPN11CNR2
SCHEMBL18997062 0.77 KDM4E (0.48) HSD11B1POLBALDH1A1KDM4ECNR2
SCHEMBL1018223 0.76 HSD11B1 (0.58) HSD11B1POLBALDH1A1KDM4EPTPN11
SCHEMBL573991 0.76 PDE4B (0.47) HSD11B1POLBALDH1A1KDM4EPTPN11

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 HSD11B1 2/4885POLB 2006/4885ALDH1A1 53/4885

“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.