SCHEMBL10249125

SCHEMBL10249125

Cc1cnc2c(c1)nc(-c1cc[n+]([O-])cc1F)n2C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
BRD4 O60885 1/20 0.32
PDE10A Q9Y233 3/20 0.31
PDE2A O00408 1/20 0.31
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 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
SCHEMBL10275170 0.86 POLB (0.42) PDE10APDE2A
SCHEMBL10249372 0.81 BRD4 (0.34) AKT1AKT2BRD4PDE10A
SCHEMBL10248962 0.81 AGPAT2 (0.41)
SCHEMBL15426465 0.79 HSD11B1 (0.41) AKT1AKT2BRD4PDE10APDE2A
SCHEMBL10252567 0.79 BRD4 (0.37) AKT1AKT2BRD4PDE10APDE2A
SCHEMBL10248903 0.77 POLB (0.38) AKT1AKT2PDE10A
SCHEMBL15426501 0.74 HSD11B1 (0.42) AKT1AKT2BRD4PDE10APDE2A
SCHEMBL15426486 0.74 HSD11B1 (0.47) PDE10APDE2A
SCHEMBL15426498 0.74 AMY1A (0.43) PDE10APDE2A
SCHEMBL15426494 0.74 S1PR4 (0.38)

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-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 AKT1 1153/4885AKT2 2245/4885BRD4 513/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 AKT1 1153/4885AKT2 2245/4885BRD4 513/4885

“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.