SCHEMBL10249035

SCHEMBL10249035

Cc1cnc2c(c1)nc(-c1ccncc1S(=O)(=O)N(C)C)n2C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
PDE10A Q9Y233 3/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
PFKFB3 Q16875 1/20 0.31
AXL P30530 2/20 0.30
NEK2 P51955 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
SCHEMBL10249227 0.87 PDE10A (0.37) BRD4PDE10ASMN1; SMN2POLBSLC40A1
SCHEMBL13075451 0.86 POLB (0.40) PDE10ASMN1; SMN2POLB
SCHEMBL10249218 0.86 CA12 (0.40) PDE10AAKT1AKT2
SCHEMBL10249278 0.86 PDE10A (0.36) BRD4PDE10ASMN1; SMN2POLBSLC40A1
SCHEMBL10249250 0.85 PDE10A (0.38) BRD4PDE10AKDM4ESMN1; SMN2POLB
SCHEMBL10249121 0.80 PFKFB3 (0.35) BRD4PDE10ASMN1; SMN2POLBAKT1
SCHEMBL4403186 0.79 PDE10A (0.40) BRD4PDE10ASMN1; SMN2POLBAKT1
SCHEMBL16803686 0.78 PDE10A (0.38) BRD4PDE10AKDM4ESMN1; SMN2POLB
SCHEMBL10249007 0.77 POLB (0.36) BRD4PDE10ASMN1; SMN2POLBAKT1
SCHEMBL10249224 0.77 PDE10A (0.40) BRD4PDE10AKDM4ESMN1; SMN2POLB

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 BRD4 513/4885PDE10A 4112/4885KDM4E 3947/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 BRD4 513/4885PDE10A 4112/4885KDM4E 3947/4885

“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.