SCHEMBL6713616

SCHEMBL6713616

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2ccc(-c3ccccc3F)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.37
CCKBR P32239 2/20 0.37
THRB P10828 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 2/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
CSF1R P07333 1/20 0.34
LCK P06239 4/20 0.34
GRM4 Q14833 1/20 0.33
F10 P00742 1/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
CHRM3 P20309 1/20 0.33
HCK P08631 1/20 0.33
HDAC1 Q13547 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
SCHEMBL6707644 0.91 LMNA (0.38) ROCK2ROCK1TRPA1LMNACSF1R
SCHEMBL6710172 0.90 ROCK2 (0.35) ROCK2ROCK1TRPA1LCKGRM4
SCHEMBL6713269 0.88 ROCK1 (0.42) CCKARCCKBRROCK2ROCK1LMNA
SCHEMBL6711596 0.88 HIF1A (0.39) CCKARCCKBRROCK1LMNALCK
SCHEMBL6711975 0.87 TRPA1 (0.46) ROCK2ROCK1TRPA1LMNALCK
SCHEMBL6711902 0.86 THRB (0.37) CCKARCCKBRTHRBTRPA1LMNA
SCHEMBL6709219 0.85 CCKAR (0.38) CCKARCCKBRTHRBROCK1TRPA1
SCHEMBL6707942 0.83 LCK (0.37) ROCK2LCKHCK
SCHEMBL6710142 0.83 ROCK2 (0.41) THRBROCK2ROCK1TRPA1GRM4
SCHEMBL6708021 0.83 MAPT (0.41) ROCK2TRPA1LCK

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 1 patent. 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

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 CCKAR 3935/4885CCKBR 3495/4885THRB 4472/4885

“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.