SCHEMBL4145143

SCHEMBL4145143

CC(C)(C)C(=O)c1ccc2c(C#N)n[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
ACACA Q13085 2/20 0.46
TRPA1 O75762 1/20 0.41
MAPK1 P28482 3/20 0.39
MAP2K4 P45985 6/20 0.38
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
MAPK6 Q16659 2/20 0.35
MAPKAPK5 Q8IW41 1/20 0.35
CHEK1 O14757 2/20 0.34
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
KDR P35968 1/20 0.34
JAK2 O60674 1/20 0.34
LRRK2 Q5S007 1/20 0.33
FASN P49327 1/20 0.33
GSK3B P49841 1/20 0.33
TTK P33981 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
SCHEMBL4403097 0.89 ACACB (0.45) ACACBACACATRPA1MAPK1MAP2K4
SCHEMBL10282869 0.84 ACACB (0.43) ACACBACACATRPA1MAPK1MAP2K4
SCHEMBL2671147 0.82 MAP2K4 (0.47) ACACBACACATRPA1MAPK1MAP2K4
SCHEMBL2671233 0.81 MAP2K4 (0.51) ACACBACACATRPA1MAPK1MAP2K4
SCHEMBL4137356 0.80 ABL1 (0.48) ACACBACACAMAP2K4ABL1BCR
SCHEMBL4150213 0.76 DYRK1A (0.45) ACACBACACAGSK3B
SCHEMBL4137466 0.76 ACACB (0.44) ACACBACACAMAPK1MAP2K4
SCHEMBL4153421 0.76 MAP2K4 (0.44) MAPK1MAP2K4MAPK6MAPKAPK5CHEK1
SCHEMBL13552135 0.75 KIF11 (0.42) ACACBACACATRPA1MAPK1CHEK1
SCHEMBL4403755 0.72 ACACB (0.43) ACACBACACAMAPK1MAP2K4MAPK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 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 (3 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-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885TRPA1 4606/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885TRPA1 4606/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885TRPA1 4606/4885

“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.