SCHEMBL1014732

SCHEMBL1014732

COC(=O)c1cnc(C)nc1C1CCC(F)(F)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.43
MAPK8 P45983 1/20 0.36
MAPK3 P27361 2/20 0.34
MAPK1 P28482 2/20 0.34
SYK P43405 2/20 0.34
KCNH2 Q12809 2/20 0.34
AURKB Q96GD4 2/20 0.34
PDE10A Q9Y233 1/20 0.34
P2RX7 Q99572 4/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
SLC6A3 Q01959 1/20 0.32
F2RL3 Q96RI0 3/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL1014879 0.90 HSD11B1 (0.43) HSD11B1MAPK8KCNH2P2RX7JAK2
SCHEMBL1015343 0.86 HSD11B1 (0.42) HSD11B1MAPK8MAPK3MAPK1SYK
SCHEMBL1014094 0.83 HSD11B1 (0.50) HSD11B1JAK2JAK1JAK3SLC6A3
SCHEMBL1013142 0.80 HSD11B1 (0.52) HSD11B1JAK2JAK1JAK3
SCHEMBL17092252 0.77 HTR2C (0.47) HSD11B1KCNH2JAK2JAK1JAK3
SCHEMBL4295193 0.75 HSD11B1 (0.80) HSD11B1
SCHEMBL4295196 0.75 HSD11B1 (0.80) HSD11B1
SCHEMBL1018048 0.75 HSD11B1 (0.43) HSD11B1KCNH2P2RX7
SCHEMBL1013169 0.74 ALDH1A1 (0.39) MAPK1SYK
SCHEMBL23612051 0.70 OPRK1 (0.46)

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 2/4885MAPK8 3117/4885MAPK3 3148/4885

“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.