SCHEMBL1018213

SCHEMBL1018213

COCc1nc(N2C[C@@H](C)O[C@@H](C)C2)ncc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
HSD11B1 P28845 3/20 0.40
HTT P42858 1/20 0.38
BCL6 P41182 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
AOC3 Q16853 1/20 0.36
ACACB O00763 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LRRK2 Q5S007 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL1015030 0.89 ALDH1A1 (0.43) KDM4EALOX15KMT2AMEN1ALDH1A1
SCHEMBL9048339 0.81 POLB (0.51) KDM4EALDH1A1MAPTPOLB
SCHEMBL1015011 0.80 HSD11B1 (0.54) KDM4EALOX15KMT2AMEN1ALDH1A1
SCHEMBL1012397 0.77 HSD11B1 (0.70) HSD11B1
SCHEMBL1012399 0.77 HSD11B1 (0.70) HSD11B1
SCHEMBL16824216 0.76 HDAC6 (0.53) KDM4EALOX15KMT2AMEN1ALDH1A1
SCHEMBL20220425 0.76 HDAC6 (0.53) KDM4EALOX15KMT2AMEN1ALDH1A1
SCHEMBL1015145 0.75 HSD11B1 (0.62) KDM4EALOX15KMT2AMEN1ALDH1A1
SCHEMBL1015452 0.75 HSD11B1 (0.62) KDM4EALOX15KMT2AMEN1ALDH1A1
SCHEMBL1015147 0.75 HSD11B1 (0.62) KDM4EALOX15KMT2AMEN1ALDH1A1

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 242/4885KMT2A 1860/4885

“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.