SCHEMBL4400846

SCHEMBL4400846

CNc1n[nH]c2ccc(C(=O)C(C)(C)C)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
JAK2 O60674 3/20 0.42
CDK7 P50613 4/20 0.41
NTRK1 P04629 3/20 0.40
JAK1 P23458 2/20 0.39
GSK3B P49841 2/20 0.39
GSK3A P49840 1/20 0.39
CDK2 P24941 2/20 0.39
MAPK1 P28482 4/20 0.38
MAP2K4 P45985 2/20 0.38
MAPKAPK3 Q16644 2/20 0.38
MAPK6 Q16659 2/20 0.38
MAPKAPK2 P49137 1/20 0.37
MAPKAPK5 Q8IW41 1/20 0.37
MAPK3 P27361 1/20 0.37

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
SCHEMBL4150213 0.89 DYRK1A (0.45) ACACBACACAGSK3B
SCHEMBL2671672 0.84 MAPK1 (0.50) CCNCCDK8ACACBACACAJAK2
SCHEMBL2671181 0.81 KDM4E (0.49) CCNCCDK8MAP2K4
SCHEMBL10240133 0.81 JAK2 (0.58) CCNCCDK8JAK2JAK1
SCHEMBL4137054 0.81 MAPK1 (0.43) JAK2CDK7JAK1MAPK1MAP2K4
SCHEMBL4403022 0.80 CDK8 (0.47) CCNCCDK8ACACBACACAJAK2
SCHEMBL4399990 0.79 JAK2 (0.41) JAK2JAK1MAPK1MAP2K4MAPKAPK3
SCHEMBL10242014 0.77 ACACB (0.44) ACACBACACAJAK2JAK1MAPK1
SCHEMBL4397852 0.77 MAP2K4 (0.46) ACACBACACAJAK2NTRK1JAK1
SCHEMBL4149673 0.77 JAK2 (0.40) JAK2JAK1GSK3BGSK3ACDK2

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-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-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-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 CCNC 599/4885CDK8 3479/4885ACACB 2/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY CCNC 599/4885CDK8 3479/4885ACACB 2/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY CCNC 599/4885CDK8 3479/4885ACACB 2/4885

“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.