SCHEMBL10248940

SCHEMBL10248940

Cc1cnc2c(c1)nc(-c1ccncc1OC(C)(C)C)n2C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE10A Q9Y233 7/20 0.35
PDE2A O00408 6/20 0.35
AKT1 P31749 3/20 0.33
AKT2 P31751 2/20 0.33
BRD4 O60885 1/20 0.33
ATR Q13535 1/20 0.32
ATM Q13315 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP17A1 P05093 2/20 0.31
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
SCHEMBL117229 0.87 POLB (0.42) POLBSMN1; SMN2PDE10APDE2AATR
SCHEMBL10249083 0.86 POLB (0.50) POLBSMN1; SMN2PDE10APDE2AAKT1
SCHEMBL10249154 0.86 POLB (0.38) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249089 0.84 POLB (0.40) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249082 0.83 POLB (0.39) POLBSMN1; SMN2PDE10APDE2AAKT1
SCHEMBL10248934 0.82 PDE1A (0.39) POLBSMN1; SMN2PDE10APDE2AAKT1
SCHEMBL10248912 0.82 SMN1; SMN2 (0.48) POLBSMN1; SMN2PDE10APDE2AATM
SCHEMBL10249085 0.81 MELK (0.41) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249232 0.81 BUB1 (0.39) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249027 0.81 MAPT (0.43) 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.