SCHEMBL1013142

SCHEMBL1013142

COC(=O)c1cnc(C)nc1C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.52
OPRK1 P41145 11/20 0.40
CSNK1D P48730 1/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1014094 0.94 HSD11B1 (0.50) HSD11B1OPRK1JAK2JAK1JAK3
SCHEMBL17092252 0.87 HTR2C (0.47) HSD11B1JAK2JAK1JAK3
SCHEMBL1013256 0.84 CSNK1D (0.40) HSD11B1OPRK1CSNK1DJAK2JAK1
SCHEMBL1015020 0.83 HSD11B1 (0.52) HSD11B1CSNK1DKDM4EHPGDKMT2A
SCHEMBL28059199 0.82 HSD11B1 (0.51) HSD11B1KDM4EHPGDKMT2A
SCHEMBL1013236 0.82 MEN1 (0.43) HSD11B1OPRK1ALDH1A1NPC1RAB9A
SCHEMBL1014879 0.82 HSD11B1 (0.43) HSD11B1JAK2JAK1JAK3ALDH1A1
SCHEMBL1014150 0.82 JAK2 (0.38) HSD11B1OPRK1JAK2JAK1JAK3
SCHEMBL1587502 0.81 PDE4B (0.43) HSD11B1OPRK1ALDH1A1HSD17B10NPSR1
SCHEMBL1014489 0.81 MEN1 (0.42) HSD11B1OPRK1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066335-A Substituted pyrimidin-5-carboxamides 281 ASTRAZENECA AB 2011-05-18 CN disclosed
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 2/4885OPRK1 1343/4885CSNK1D 127/4885

“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.