SCHEMBL10249083

SCHEMBL10249083

COc1cnccc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AKT1 P31749 2/20 0.40
AAK1 Q2M2I8 3/20 0.37
PDE10A Q9Y233 8/20 0.37
PDE2A O00408 5/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HAVCR2 Q8TDQ0 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
AKT2 P31751 1/20 0.35
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE6H Q13956 1/20 0.35

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
SCHEMBL10249089 0.88 POLB (0.40) POLBSMN1; SMN2AKT1PDE10AAKT2
SCHEMBL10249030 0.87 POLB (0.40) POLBSMN1; SMN2AKT1PDE10APDE2A
SCHEMBL10248940 0.86 POLB (0.39) POLBSMN1; SMN2AKT1PDE10APDE2A
SCHEMBL10249082 0.86 POLB (0.39) POLBSMN1; SMN2AKT1AAK1PDE10A
SCHEMBL10248934 0.85 PDE1A (0.39) POLBSMN1; SMN2AKT1PDE10APDE2A
SCHEMBL10249085 0.84 MELK (0.41) POLBSMN1; SMN2AKT1AAK1PDE10A
SCHEMBL10249232 0.84 BUB1 (0.39) POLBSMN1; SMN2AKT1PDE10AAKT2
SCHEMBL10249154 0.84 POLB (0.38) POLBSMN1; SMN2AKT1AAK1PDE10A
SCHEMBL10249027 0.84 MAPT (0.43) POLBSMN1; SMN2AKT1PDE10APDE4A
SCHEMBL354615 0.84 POLB (0.46) POLBSMN1; SMN2AKT1AAK1PDE10A

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 1524/4885AKT1 1153/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885SMN1; SMN2 1524/4885AKT1 1153/4885

“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.