SCHEMBL3801161

SCHEMBL3801161

CC(C)(C)C(=O)Nc1ncc(C(=O)CBr)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CDK5 Q00535 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
FFAR2 O15552 1/20 0.39

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
SCHEMBL3798125 0.87 CCNE1 (0.46) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL4523132 0.83 CCNE1 (0.46) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL16753888 0.82 CCNE1 (0.43) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL3800102 0.81 CCNE1 (0.54) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL20832739 0.79 CCNE1 (0.57) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL13125884 0.78 CCNE1 (0.42) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL9974179 0.76 SMN1; SMN2 (0.55) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL2880446 0.74 RAB9A (0.56) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL13436511 0.71 CDK2 (0.67) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL2487504 0.71 HCAR2 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 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-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 CCNE1 4754/4885CDK2 4786/4885CCNB2 4883/4885

“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.