SCHEMBL10249007

SCHEMBL10249007

CSc1cnccc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE10A Q9Y233 4/20 0.36
AKT1 P31749 3/20 0.35
AKT2 P31751 2/20 0.35
BRD4 O60885 1/20 0.33
ATM Q13315 1/20 0.33
PDE2A O00408 1/20 0.32
CYP17A1 P05093 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CCR1 P32246 2/20 0.32
CCR5 P51681 2/20 0.32
CCR8 P51685 2/20 0.32
AR P10275 1/20 0.31
USP2 O75604 1/20 0.30
RPS6KA5 O75582 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
SCHEMBL10248981 0.86 POLB (0.34) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10248971 0.86 PDE10A (0.36) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10248977 0.86 POLB (0.34) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10249078 0.85 POLB (0.34) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL15426254 0.85 KDM4E (0.39) SMN1; SMN2PDE10AAKT1AKT2BRD4
SCHEMBL10249014 0.84 PDE10A (0.35) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL117232 0.84 POLB (0.45) POLBSMN1; SMN2PDE10APDE2ACYP17A1
SCHEMBL4403186 0.84 PDE10A (0.40) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10252611 0.83 PDE10A (0.35) POLBSMN1; SMN2PDE10AAKT1AKT2
SCHEMBL10252628 0.83 PDE10A (0.35) 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.