SCHEMBL4137054

SCHEMBL4137054

Cc1n[nH]c2ccc(C(=O)C(C)(C)C)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.43
MAP2K4 P45985 5/20 0.43
MAPKAPK3 Q16644 3/20 0.43
MAPK6 Q16659 3/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43
JAK2 O60674 2/20 0.42
CYP1A2 P05177 1/20 0.39
MAPK3 P27361 6/20 0.39
JAK1 P23458 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
CDK7 P50613 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL10240133 0.84 JAK2 (0.58) JAK2JAK1
SCHEMBL4399990 0.83 JAK2 (0.41) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL16308650 0.82 KIF11 (0.50) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL1145076 0.82 MAP2K4 (0.57) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL31504557 0.82 MAP2K4 (0.57) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL23559721 0.81 MAP2K4 (0.58) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4397852 0.81 MAP2K4 (0.46) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4400846 0.81 CCNC (0.47) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL10242014 0.81 ACACB (0.44) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4400777 0.81 MAP2K4 (0.44) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2

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 MAPK1 3158/4885MAP2K4 4480/4885MAPKAPK3 4112/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY MAPK1 3158/4885MAP2K4 4480/4885MAPKAPK3 4112/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY MAPK1 3158/4885MAP2K4 4480/4885MAPKAPK3 4112/4885

“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.