SCHEMBL10249232

SCHEMBL10249232

Cc1cnc2c(c1)nc(-c1ccncc1OCC(F)F)n2C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 6/20 0.39
CYP17A1 P05093 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 2/20 0.35
AKT1 P31749 3/20 0.34
AKT2 P31751 2/20 0.34
MELK Q14680 1/20 0.33
MAPT P10636 1/20 0.32
GSK3B P49841 1/20 0.32
BRD4 O60885 1/20 0.32
PDE1A P54750 3/20 0.31
PDE1B Q01064 3/20 0.31
PDE1C Q14123 3/20 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
SCHEMBL10249085 0.91 MELK (0.41) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249089 0.87 POLB (0.40) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL117897 0.87 POLB (0.42) BUB1CYP17A1POLBSMN1; SMN2PDE10A
SCHEMBL10249027 0.86 MAPT (0.43) CYP17A1POLBSMN1; SMN2PDE10AAKT1
SCHEMBL10249174 0.85 SMN1; SMN2 (0.45) BUB1CYP17A1POLBSMN1; SMN2MAPT
SCHEMBL10248934 0.85 PDE1A (0.39) BUB1POLBSMN1; SMN2PDE10AAKT1
SCHEMBL10249083 0.84 POLB (0.50) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249154 0.84 POLB (0.38) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249030 0.84 POLB (0.40) BUB1POLBSMN1; SMN2PDE10AAKT1
SCHEMBL10249082 0.84 POLB (0.39) CYP17A1POLBSMN1; SMN2PDE10AAKT1

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 BUB1 2962/4885CYP17A1 1652/4885POLB 4724/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 BUB1 2962/4885CYP17A1 1652/4885POLB 4724/4885

“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.