SCHEMBL4137356

SCHEMBL4137356

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.48
BCR P11274 10/20 0.48
JAK2 O60674 4/20 0.48
PDPK1 O15530 5/20 0.47
JAK1 P23458 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MAP2K4 P45985 1/20 0.41
SRC P12931 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL10240133 0.88 JAK2 (0.58) JAK2PDPK1JAK1
SCHEMBL4404646 0.82 PDPK1 (0.51) ABL1BCRJAK2PDPK1JAK1
SCHEMBL4397852 0.81 MAP2K4 (0.46) JAK2JAK1ACACBACACAMAP2K4
SCHEMBL4153421 0.81 MAP2K4 (0.44) ABL1BCRJAK2MAP2K4SRC
SCHEMBL4150213 0.81 DYRK1A (0.45) ACACBACACA
SCHEMBL4137466 0.81 ACACB (0.44) ACACBACACAMAP2K4
SCHEMBL922195 0.80 PDPK1 (0.53) ABL1BCRJAK2PDPK1JAK1
SCHEMBL31033009 0.80 CHEK1 (0.53) ABL1BCRJAK2PDPK1JAK1
SCHEMBL4145143 0.80 ACACB (0.46) ABL1BCRJAK2ACACBACACA
Hydrochloric Acid SCHEMBL17205412 0.79 PDPK1 (0.51) ABL1BCRJAK2PDPK1JAK1

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 ABL1 3680/4885BCR 4468/4885JAK2 2676/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ABL1 3680/4885BCR 4468/4885JAK2 2676/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ABL1 3680/4885BCR 4468/4885JAK2 2676/4885

“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.