SCHEMBL10249121

SCHEMBL10249121

Cc1cnc2c(c1)nc(-c1ccncc1C(=O)N(C)C)n2C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.35
PDE10A Q9Y233 3/20 0.35
ALOX5AP P20292 1/20 0.35
GPBAR1 Q8TDU6 3/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TACR1 P25103 1/20 0.33
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
BRD4 O60885 1/20 0.32
PDE2A O00408 1/20 0.32
SPR P35270 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
SCHEMBL10249245 0.89 POLB (0.35) PDE10AGPBAR1POLBSMN1; SMN2SIRT3
SCHEMBL10249120 0.88 PDE10A (0.36) PDE10ASMN1; SMN2TDP1SPR
SCHEMBL10249095 0.87 KDM4C (0.37) PDE10APOLBSMN1; SMN2SIRT3TDP1
SCHEMBL16380358 0.86 POLB (0.44) GPBAR1POLBTACR1
SCHEMBL10252614 0.86 SIRT3 (0.47) PFKFB3PDE10AALOX5APPOLBSMN1; SMN2
SCHEMBL10249139 0.84 PFKFB3 (0.36) PFKFB3PDE10AALOX5APPOLBSMN1; SMN2
SCHEMBL10249325 0.84 CYP46A1 (0.41) PDE10AALOX5APPOLBSMN1; SMN2
SCHEMBL10249147 0.82 ALDH1A1 (0.41) PDE10APOLBSMN1; SMN2
SCHEMBL10252639 0.81 PDE2A (0.39) PDE10AALOX5APSMN1; SMN2BRD4PDE2A
SCHEMBL10249035 0.80 BRD4 (0.36) PFKFB3PDE10APOLBSMN1; SMN2AKT1

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 PFKFB3 4088/4885PDE10A 4112/4885ALOX5AP 2902/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PFKFB3 4088/4885PDE10A 4112/4885ALOX5AP 2902/4885

“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.