SCHEMBL3100540

SCHEMBL3100540

Cn1cc(-c2cnc3nccc-3[nH]2)c2cc(C(=O)NC(C)(C)COS(C)(=O)=O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.54
SCN9A Q15858 11/20 0.37
SCN5A Q14524 5/20 0.37
CA9 Q16790 3/20 0.35
CA12 O43570 2/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN4A P35499 1/20 0.35
SCN2A Q99250 1/20 0.35
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
IGF1R P08069 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35
BTK Q06187 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL5069861 0.89 SYK (0.66) SYKSCN9ASCN5ACA9CA12
SCHEMBL1777445 0.85 SYK (0.61) SYKSCN9ASCN5ACA9CYP2C8
SCHEMBL1777734 0.83 SYK (0.79) SYKSCN9ASCN5AJAK2LCK
SCHEMBL5069862 0.78 SYK (0.43) SYKSCN9ASCN5ACA9CA12
SCHEMBL1777444 0.73 SYK (0.73) SYKSCN9ASCN5ACA9JAK2
SCHEMBL1777104 0.71 SYK (0.77) SYKSCN9ACA9JAK2LCK
SCHEMBL1777163 0.71 SYK (0.73) SYKSCN9ASCN5ACA9CA12
SCHEMBL3091781 0.71 IGF1R (0.44) SYKJAK2LCKIGF1RGSK3A
SCHEMBL1777837 0.70 SYK (1.00) SYKJAK2LCKIGF1RGSK3A
SCHEMBL14427642 0.70 SYK (0.76) SYKJAK2LCKIGF1RGSK3A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US claimed
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 EP disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 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 (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-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 SYK 1896/4885SCN9A 1505/4885SCN5A 771/4885

“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.