SCHEMBL16803702

SCHEMBL16803702

CCS(=O)(=O)c1nccnc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
PDE10A Q9Y233 3/20 0.34
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
RPS6KA5 O75582 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL16612238 0.85 POLB (0.47) POLB
SCHEMBL15275099 0.82 PDE10A (0.41) BRD4PDE10AAKT1AKT2POLB
SCHEMBL16803699 0.82 AKT1 (0.43) BRD4PDE10AAKT1AKT2RPS6KA5
SCHEMBL16803711 0.81 BRD4 (0.35) BRD4PDE10AAKT1AKT2
SCHEMBL16803687 0.80 PDE10A (0.35) BRD4PDE10AAKT1AKT2
SCHEMBL16604839 0.78 BRD4 (0.33) BRD4PDE10A
SCHEMBL18854920 0.78 BRD4 (0.38) BRD4PDE10AAKT1AKT2
SCHEMBL18327928 0.77 BRD4 (0.38) BRD4PDE10A
SCHEMBL16803703 0.77 BRD4 (0.35) BRD4PDE10AAKT1AKT2POLB
SCHEMBL18327924 0.77 BRD4 (0.37) BRD4PDE10AAKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 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 (2 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-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B1 BRD4 2809/4885PDE10A 3525/4885AKT1 2276/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 BRD4 1820/4885PDE10A 3869/4885AKT1 1750/4885

“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.