SCHEMBL10248977

SCHEMBL10248977

Cc1cnc2c(c1)nc(-c1ccncc1SC(C)(C)C)n2C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE10A Q9Y233 3/20 0.34
AKT1 P31749 3/20 0.33
AKT2 P31751 2/20 0.33
BRD4 O60885 1/20 0.31
RAB9A P51151 2/20 0.31
USP2 O75604 1/20 0.31
ATM Q13315 1/20 0.31
PDE2A O00408 1/20 0.31
CYP17A1 P05093 2/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
SLC22A12 Q96S37 3/20 0.30
CYP1A2 P05177 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
SCHEMBL10249078 0.89 POLB (0.34) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249007 0.86 POLB (0.36) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10284674 0.86 POLB (0.46) POLBSMN1; SMN2PDE10APDE2ACYP17A1
SCHEMBL10249204 0.85 PDE10A (0.32) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL15426269 0.85 AKT1 (0.36) POLBPDE10AAKT1AKT2BRD4
SCHEMBL10248971 0.83 PDE10A (0.36) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10248981 0.83 POLB (0.34) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10248994 0.82 SMN1; SMN2 (0.43) POLBSMN1; SMN2PDE10ARAB9AATM
SCHEMBL10249014 0.81 PDE10A (0.35) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL4403186 0.81 PDE10A (0.40) 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.