SCHEMBL1014273

SCHEMBL1014273

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.37
TSHR P16473 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 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
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SPR P35270 1/20 0.33
SYK P43405 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1014834 0.83 HPGD (0.39) BRS3KMT2AKDM4EALDH1A1SYK
SCHEMBL1013235 0.79 HSD11B1 (0.49) TSHRHSP90AA1FOSJUNNFKB1
SCHEMBL1015380 0.78 HSD11B1 (0.50) HSP90AA1FOSJUNNFKB1NFKB2
SCHEMBL1014864 0.77 HSD11B1 (0.53) HSP90AA1KMT2AFOSJUNNFKB1
SCHEMBL8590367 0.75 RAB9A (0.47) TSHRKMT2AFOSJUNNFKB1
SCHEMBL1018098 0.74 HSD11B1 (0.54) TSHRKMT2AMAPTKDM4EALDH1A1
SCHEMBL22120120 0.74 ATM (0.41) TSHRKMT2AFOSJUNNFKB1
SCHEMBL3618934 0.72 LMNA (0.46) TSHRNFKB1NFKB2RELAATM
SCHEMBL1014652 0.72 ALDH1A1 (0.45) TSHRKMT2ANFKB1NFKB2RELA
SCHEMBL3055707 0.70 NPSR1 (0.39) TSHRKMT2AFOSJUNNFKB1

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 BRS3 3078/4885TSHR 2468/4885HSP90AA1 1211/4885

“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.