SCHEMBL1014864

SCHEMBL1014864

COC(=O)c1cnc(C)nc1CC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.53
PTGER4 P35408 1/20 0.39
CHEK1 O14757 5/20 0.38
CHEK2 O96017 2/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
FOS P01100 1/20 0.34
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL1018098 0.94 HSD11B1 (0.54) HSD11B1CHEK1CHEK2KDM4EALDH1A1
SCHEMBL1016192 0.84 HSD11B1 (0.53) HSD11B1KDM4EHPGDKMT2A
SCHEMBL1015464 0.78 HSD11B1 (0.55) HSD11B1KDM4EHPGDNPC1RAB9A
SCHEMBL13667474 0.77 HSD11B1 (0.54) HSD11B1
SCHEMBL1014273 0.77 BRS3 (0.37) KDM4EALDH1A1HSP90AA1KMT2AMAPT
SCHEMBL1013235 0.77 HSD11B1 (0.49) HSD11B1KDM4EALDH1A1HPGDLMNA
SCHEMBL1015380 0.75 HSD11B1 (0.50) HSD11B1KDM4EALDH1A1LMNAHSP90AA1
SCHEMBL1014094 0.75 HSD11B1 (0.50) HSD11B1KDM4EALDH1A1HPGDLMNA
SCHEMBL19284414 0.74 PTGER4 (0.41) PTGER4KDM4EALDH1A1HPGDNPC1
SCHEMBL8590367 0.73 RAB9A (0.47) KDM4EALDH1A1HPGDLMNANPC1

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 2/4885PTGER4 915/4885CHEK1 3919/4885

“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.