SCHEMBL6708716

SCHEMBL6708716

COCC(=O)Nc1ccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.40
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
GRM4 Q14833 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
IKBKB O14920 1/20 0.34
RORC P51449 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM1A O60341 1/20 0.33
ROCK1 Q13464 1/20 0.33
IMPDH2 P12268 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ITK Q08881 2/20 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
SCHEMBL6709950 0.92 ROCK2 (0.39) ROCK2GRM4USP2ALDH1A1LMNA
SCHEMBL6710229 0.90 NAMPT (0.40) ROCK2GRM4ALDH1A1RORCROCK1
SCHEMBL7159445 0.89 ROCK2 (0.40) ROCK2GRM4ALDH1A1RORC
SCHEMBL6708004 0.89 RXFP1 (0.41) ROCK2GRM4ALDH1A1LMNAKDM1A
SCHEMBL6710142 0.89 ROCK2 (0.41) ROCK2GRM4ROCK1RXFP1
SCHEMBL6711946 0.88 HPGD (0.39) GRM4ALDH1A1NPSR1ROCK1IMPDH2
SCHEMBL6708021 0.86 MAPT (0.41) ROCK2ALDH1A1L3MBTL1KDM1A
SCHEMBL6710360 0.85 TDP2 (0.41) ROCK2GRM4ROCK1
SCHEMBL6707688 0.85 ADORA2B (0.38) ROCK2FNTAFNTBGRM4USP2
SCHEMBL6708650 0.84 ROCK2 (0.40) ROCK2GRM4RXFP1

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 ROCK2 4868/4885FNTA 3425/4885FNTB 2833/4885

“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.