SCHEMBL10249027

SCHEMBL10249027

Cc1cnc2c(c1)nc(-c1ccncc1OCCF)n2C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKT1 P31749 3/20 0.36
AKT2 P31751 2/20 0.36
PDE10A Q9Y233 6/20 0.35
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
CYP17A1 P05093 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL10248934 0.90 PDE1A (0.39) MAPTPOLBSMN1; SMN2AKT1AKT2
SCHEMBL10249030 0.89 POLB (0.40) POLBSMN1; SMN2AKT1AKT2PDE10A
SCHEMBL10249089 0.87 POLB (0.40) POLBSMN1; SMN2AKT1AKT2PDE10A
SCHEMBL117769 0.87 POLB (0.42) MAPTPOLBSMN1; SMN2PDE10APDE4A
SCHEMBL10249141 0.87 POLB (0.37) MAPTPOLBSMN1; SMN2AKT1AKT2
SCHEMBL10248946 0.87 SMN1; SMN2 (0.37) POLBSMN1; SMN2AKT1AKT2PDE10A
SCHEMBL10249232 0.86 BUB1 (0.39) MAPTPOLBSMN1; SMN2AKT1AKT2
SCHEMBL10249083 0.84 POLB (0.50) POLBSMN1; SMN2AKT1AKT2PDE10A
SCHEMBL10249154 0.84 POLB (0.38) POLBSMN1; SMN2AKT1AKT2PDE10A
SCHEMBL10249052 0.84 MAPT (0.46) MAPTPOLBSMN1; SMN2PDE10APDE4A

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 MAPT 4423/4885POLB 4724/4885SMN1; SMN2 1524/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 MAPT 4423/4885POLB 4724/4885SMN1; SMN2 1524/4885

“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.