SCHEMBL2065644

SCHEMBL2065644

CCc1cn2nc(C(C)C)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.32
DRD4 P21917 4/20 0.32
DRD3 P35462 4/20 0.32
HTR1A P08908 3/20 0.32
ADRA1D P25100 3/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
NAMPT P43490 1/20 0.31
DYRK1A Q13627 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
SCHEMBL31001755 0.87 SORD (0.31) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL24362734 0.87 MCHR1 (0.32) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL12844138 0.80 PDE10A (0.36) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL798826 0.80 DYRK1A (0.34) NAMPTDYRK1A
SCHEMBL19966731 0.78 DYRK1A (0.40) DYRK1A
SCHEMBL3344655 0.77 DYRK1A (0.39) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL2067022 0.77 DYRK1A (0.50) NAMPTDYRK1A
SCHEMBL23530073 0.77 PDCD1 (0.37) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL19297172 0.77 DRD2 (0.38) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL17858571 0.76 NOS3 (0.35) DRD2DRD4DRD3HTR1AADRA1D

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-8148524-B2 Process for producing sulfonyl chloride compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-03 US disclosed
EP-1932846-B1 METHOD FOR PRODUCING SULFONYL CHLORIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2010-10-27 EP disclosed
US-20090247748-A1 PROCESS FOR PRODUCING SULFONYL CHLORIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-01 US disclosed
EP-1932846-A1 METHOD FOR PRODUCING SULFONYL CHLORIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-06-18 EP 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 (1 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-20090247748-A1 PROCESS FOR PRODUCING SULFONYL CHLORIDE COMPOUND SALL4, CLCN2, CLIC1 DRD2 715/4885DRD4 584/4885DRD3 1419/4885

“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.