SCHEMBL1018557

SCHEMBL1018557

CC1CN(c2ncc(C(=O)O)c(C3CC3)n2)CC(C)O1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.54
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
RBP4 P02753 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
AOC3 Q16853 2/20 0.36
GAK O14976 1/20 0.36
CAMK1D Q8IU85 1/20 0.35
LMNA P02545 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL1015011 0.86 HSD11B1 (0.54) HSD11B1MEN1ALDH1A1GAAKMT2A
SCHEMBL1015365 0.83 HSD11B1 (0.62) HSD11B1MEN1ALDH1A1GAAKMT2A
SCHEMBL1015366 0.83 HSD11B1 (0.62) HSD11B1MEN1ALDH1A1GAAKMT2A
SCHEMBL1015671 0.83 HSD11B1 (0.62) HSD11B1MEN1ALDH1A1GAAKMT2A
SCHEMBL16824218 0.83 RBP4 (0.51) HSD11B1MEN1ALDH1A1GAAKMT2A
SCHEMBL1018223 0.79 HSD11B1 (0.58) HSD11B1ALDH1A1KDM4E
SCHEMBL1015030 0.77 ALDH1A1 (0.43) HSD11B1MEN1ALDH1A1GAAKMT2A
SCHEMBL1018091 0.76 HSD11B1 (0.46) HSD11B1MEN1ALDH1A1GAAKMT2A
SCHEMBL1015214 0.75 HSD11B1 (0.93) HSD11B1
SCHEMBL1013157 0.75 HSD11B1 (0.93) HSD11B1

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 2/4885MEN1 1994/4885ALDH1A1 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.