SCHEMBL272401

SCHEMBL272401

CC(C)(C)OC(=O)N(N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
RXRA P19793 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
MAPT P10636 1/20 0.39
MT-CO2 P00403 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
APP P05067 1/20 0.36
EPHX2 P34913 1/20 0.36
CFTR P13569 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL4700464 0.90 ALDH1A1 (0.39) KIF11RXRANR1H2NR1H3MAPT
SCHEMBL2529611 0.88 MT-CO2 (0.42) MAPTMT-CO2
SCHEMBL273986 0.83 MEN1 (0.39) MAPTMT-CO2APPHTT
SCHEMBL7667615 0.82 LMNA (0.49) KIF11RXRANR1H2NR1H3LMNA
SCHEMBL977449 0.81 ALDH1A1 (0.42) MAPTMT-CO2ALDH1A1NPSR1
SCHEMBL3410365 0.81 MT-CO2 (0.39) CES2CES1MAPTMT-CO2ALDH1A1
SCHEMBL5339338 0.81 ATM (0.44) MAPTMT-CO2ALDH1A1LMNANPSR1
SCHEMBL15948302 0.80 F2 (0.38) MAPTMT-CO2LMNAGPR119
SCHEMBL14740797 0.80 RAB9A (0.41) MAPTMT-CO2ALDH1A1LMNAHTT
SCHEMBL14740850 0.80 MT-CO2 (0.38) MAPTMT-CO2APP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 US disclosed
WO-2010009139-A2 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 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-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS HDAC1, CDK9, CDK2 KIF11 904/4885CES2 3499/4885CES1 2546/4885

“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.