SCHEMBL10249243

SCHEMBL10249243

Cc1cnc2c(c1)nc(-c1ccncc1[S+](C)[O-])n2C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE10A Q9Y233 4/20 0.35
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
BRD4 O60885 1/20 0.32
ATM Q13315 1/20 0.32
PDE2A O00408 1/20 0.31
CYP17A1 P05093 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
SCHEMBL10249039 0.87 PDE10A (0.35) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL117126 0.85 POLB (0.39) POLBSMN1; SMN2PDE10APDE2ACYP17A1
SCHEMBL15426256 0.85 AKT1 (0.37) PDE10AAKT1AKT2BRD4PDE2A
SCHEMBL4403186 0.82 PDE10A (0.40) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249065 0.81 SMN1; SMN2 (0.43) POLBSMN1; SMN2PDE10AATM
SCHEMBL16803693 0.80 PDE10A (0.35) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10248903 0.80 POLB (0.38) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10248996 0.80 PDE10A (0.40) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249307 0.80 PDE10A (0.38) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL4399161 0.80 POLB (0.38) POLBSMN1; SMN2PDE10AAKT1AKT2

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 POLB 4724/4885SMN1; SMN2 1524/4885PDE10A 4112/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885SMN1; SMN2 1524/4885PDE10A 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.