SCHEMBL10170085

SCHEMBL10170085

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(-c4nnn[nH]4)ccc2N3)cc2c(C3CC3)nccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.37
ACACA Q13085 6/20 0.37
MAPK7 Q13164 9/20 0.33
CASP3 P42574 3/20 0.33
CDK9 P50750 3/20 0.33
CASP7 P55210 3/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CDK7 P50613 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
LMNA P02545 1/20 0.32
PDE2A O00408 1/20 0.32

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
SCHEMBL10169966 0.87 ACACB (0.36) ACACBACACAMAPK7CASP3CDK9
SCHEMBL10170074 0.86 ACACB (0.38) ACACBACACAMAPK7CASP3CDK9
SCHEMBL10170081 0.84 CDK9 (0.37) ACACBACACAMAPK7CASP3CDK9
SCHEMBL10170077 0.79 ACACB (0.42) ACACBACACA
SCHEMBL1816354 0.77 ACACB (0.43) ACACBACACA
SCHEMBL551053 0.77 ACACB (0.50) ACACBACACALMNA
SCHEMBL10170052 0.77 KMT2A (0.45) ACACBACACA
SCHEMBL1812751 0.76 ACACB (0.42) ACACBACACA
SCHEMBL10169967 0.75 ACACB (0.35) ACACBACACAMAPK7CASP3CDK9
SCHEMBL1813091 0.73 ACACB (0.46) ACACBACACA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 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 (1 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-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB ACACB 3/4885ACACA 1/4885MAPK7 3444/4885

“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.