SCHEMBL1018098

SCHEMBL1018098

COC(=O)c1cnc(C)nc1CC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.54
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CHEK1 O14757 3/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
JAK1 P23458 2/20 0.37
JAK3 P52333 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CHEK2 O96017 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 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
SCHEMBL1014864 0.94 HSD11B1 (0.53) HSD11B1ALDH1A1KDM4EHSD17B10CHEK1
SCHEMBL1015464 0.85 HSD11B1 (0.55) HSD11B1KDM4ENPC1RAB9AHPGD
SCHEMBL13667474 0.83 HSD11B1 (0.54) HSD11B1JAK1JAK3
SCHEMBL1016192 0.79 HSD11B1 (0.53) HSD11B1KDM4EKMT2AHPGD
SCHEMBL1013142 0.76 HSD11B1 (0.52) HSD11B1ALDH1A1KDM4EHSD17B10OPRK1
SCHEMBL1014273 0.74 BRS3 (0.37) ALDH1A1KDM4ETSHRMAPTKMT2A
SCHEMBL1013235 0.74 HSD11B1 (0.49) HSD11B1ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL1015380 0.73 HSD11B1 (0.50) HSD11B1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14667326 0.73 HSD11B1 (0.47) HSD11B1KMT2AMEN1JAK1JAK3
SCHEMBL1014094 0.73 HSD11B1 (0.50) HSD11B1ALDH1A1KDM4EHSD17B10TSHR

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 2/4885ALDH1A1 53/4885KDM4E 1727/4885

“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.