SCHEMBL6710120

SCHEMBL6710120

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(OCc3cccnc3)c21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.42
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 1/20 0.37
CHEK1 O14757 2/20 0.36
LRRK2 Q5S007 1/20 0.36
BRD4 O60885 2/20 0.35
PPIA P62937 1/20 0.35
KDM1A O60341 1/20 0.35
VNN1 O95497 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
XDH P47989 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ITK Q08881 1/20 0.33
MET P08581 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL6709131 0.92 PPIA (0.39) SGMS2LRRK2PPIAKDM1ALMNA
SCHEMBL6707611 0.89 LRRK2 (0.40) SGMS2LRRK2BRD4LMNACYP1A2
SCHEMBL6707705 0.89 LRRK2 (0.39) SGMS2LRRK2BRD4LMNA
SCHEMBL6708983 0.86 SGMS2 (0.41) SGMS2CYP11B1CYP11B2CHEK1LRRK2
SCHEMBL6708936 0.86 KDM1A (0.34) BRD4KDM1ALMNA
SCHEMBL6713474 0.85 RXFP1 (0.33) KDM1ALMNA
SCHEMBL6710365 0.85 KDM1A (0.39) BRD4KDM1ALMNA
SCHEMBL6710432 0.85 LMNA (0.35) BRD4KDM1ALMNAMET
SCHEMBL6709981 0.85 LMNA (0.35) BRD4LMNA
SCHEMBL6833244 0.85 SGMS2 (0.49) SGMS2CHEK1LRRK2BRD4PPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 SGMS2 4780/4885CYP11B1 4025/4885CYP11B2 3963/4885

“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.