SCHEMBL10249048

SCHEMBL10249048

C#CCSc1cnccc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PDE10A Q9Y233 2/20 0.34
AKT1 P31749 3/20 0.33
AKT2 P31751 2/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.31
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL10249282 0.89 TSHR (0.36) CA12CA1CA2CA9CA14
SCHEMBL13074877 0.87 POLB (0.45) CA12CA1CA2CA9CA14
SCHEMBL10248971 0.86 PDE10A (0.36) PDE10AAKT1AKT2POLBSMN1; SMN2
SCHEMBL10249014 0.84 PDE10A (0.35) PDE10AAKT1AKT2POLBSMN1; SMN2
SCHEMBL10252611 0.83 PDE10A (0.35) PDE10AAKT1AKT2POLBSMN1; SMN2
SCHEMBL10252628 0.83 PDE10A (0.35) PDE10AAKT1AKT2POLBSMN1; SMN2
SCHEMBL10249306 0.83 SMN1; SMN2 (0.40) CA12CA1CA2CA9CA14
SCHEMBL10249293 0.83 AKT1 (0.36) PDE10AAKT1AKT2POLBSMN1; SMN2
SCHEMBL10249155 0.83 HTT (0.37) PDE10AAKT1AKT2POLBSMN1; SMN2
SCHEMBL10249007 0.83 POLB (0.36) PDE10AAKT1AKT2POLBSMN1; SMN2

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 CA12 3308/4885CA1 2069/4885CA2 3296/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 CA12 3308/4885CA1 2069/4885CA2 3296/4885

“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.