SCHEMBL4399990

SCHEMBL4399990

CC(C)(C)C(=O)c1ccc2[nH]nc(Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.41
JAK1 P23458 4/20 0.41
MAPK1 P28482 12/20 0.40
MAP2K4 P45985 6/20 0.40
MAPKAPK3 Q16644 3/20 0.40
MAPK6 Q16659 3/20 0.40
MAPKAPK2 P49137 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
MAPK3 P27361 6/20 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
SCHEMBL4137054 0.83 MAPK1 (0.43) JAK2JAK1MAPK1MAP2K4MAPKAPK3
SCHEMBL10240133 0.83 JAK2 (0.58) JAK2JAK1
SCHEMBL4407745 0.83 PRKAB2 (0.47) JAK2JAK1MAPK1MAP2K4MAPKAPK3
SCHEMBL1145032 0.81 MAP2K4 (0.50) JAK2JAK1MAPK1MAP2K4MAPKAPK3
SCHEMBL10242014 0.79 ACACB (0.44) JAK2JAK1MAPK1MAP2K4MAPKAPK3
SCHEMBL4400846 0.79 CCNC (0.47) JAK2JAK1MAPK1MAP2K4MAPKAPK3
SCHEMBL4400777 0.79 MAP2K4 (0.44) JAK2JAK1MAPK1MAP2K4MAPKAPK3
SCHEMBL4397852 0.79 MAP2K4 (0.46) JAK2JAK1MAPK1MAP2K4MAPKAPK3
SCHEMBL4149673 0.79 JAK2 (0.40) JAK2JAK1MAPK1MAP2K4MAPKAPK3
SCHEMBL23675227 0.79 MAP2K4 (0.54) JAK2JAK1MAP2K4

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 JAK2 2676/4885JAK1 3818/4885MAPK1 3158/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY JAK2 2676/4885JAK1 3818/4885MAPK1 3158/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY JAK2 2676/4885JAK1 3818/4885MAPK1 3158/4885

“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.