SCHEMBL1013235

SCHEMBL1013235

COC(=O)c1cnc(C)nc1CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
HSP90AA1 P07900 1/20 0.37
DPP4 P27487 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 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
SCHEMBL1015928 0.83 HSD11B1 (0.49) HSD11B1DPP4ALDH1A1KDM4EUSP2
SCHEMBL1014273 0.79 BRS3 (0.37) HSP90AA1ALDH1A1FOSJUNNFKB1
SCHEMBL1015380 0.78 HSD11B1 (0.50) HSD11B1HSP90AA1NPC1ALDH1A1RAB9A
SCHEMBL1014864 0.77 HSD11B1 (0.53) HSD11B1HSP90AA1NPC1ALDH1A1RAB9A
SCHEMBL3618934 0.76 LMNA (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8590367 0.75 RAB9A (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1018098 0.74 HSD11B1 (0.54) HSD11B1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22120120 0.74 ATM (0.41) ALDH1A1FOSJUNNFKB1NFKB2
SCHEMBL15668892 0.73 ALDH1A1 (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1014652 0.72 ALDH1A1 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2L3MBTL1

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 2/4885HSP90AA1 1211/4885DPP4 793/4885

“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.