SCHEMBL10240133

SCHEMBL10240133

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.58
JAK1 P23458 7/20 0.55
PDPK1 O15530 1/20 0.47
JAK3 P52333 2/20 0.45
ULK1 O75385 1/20 0.45
CCNC P24863 5/20 0.44
CDK8 P49336 5/20 0.44
F10 P00742 1/20 0.43
ROCK2 O75116 1/20 0.43
TYK2 P29597 1/20 0.43

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
SCHEMBL4137356 0.88 ABL1 (0.48) JAK2JAK1PDPK1
SCHEMBL4397852 0.87 MAP2K4 (0.46) JAK2JAK1JAK3TYK2
SCHEMBL4137054 0.84 MAPK1 (0.43) JAK2JAK1
SCHEMBL4399990 0.83 JAK2 (0.41) JAK2JAK1
SCHEMBL4404641 0.82 JAK2 (0.58) JAK2JAK1PDPK1ULK1CCNC
SCHEMBL10242014 0.81 ACACB (0.44) JAK2JAK1
SCHEMBL4400777 0.81 MAP2K4 (0.44) JAK2JAK1CCNCCDK8F10
SCHEMBL4400846 0.81 CCNC (0.47) JAK2JAK1CCNCCDK8
SCHEMBL4149673 0.81 JAK2 (0.40) JAK2JAK1
SCHEMBL117222 0.80 JAK2 (0.64) JAK2JAK1PDPK1JAK3ULK1

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 3818/4885PDPK1 2943/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY JAK2 2676/4885JAK1 3818/4885PDPK1 2943/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY JAK2 2676/4885JAK1 3818/4885PDPK1 2943/4885

“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.