SCHEMBL6711786

SCHEMBL6711786

CS(=O)(=O)Nc1ccc2c(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)noc2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.38
PGR P06401 5/20 0.35
CSF1R P07333 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
NR3C1 P04150 4/20 0.34
NR3C2 P08235 4/20 0.34
AR P10275 3/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
LRRK2 Q5S007 3/20 0.33
CSNK2A1 P68400 2/20 0.33
HIF1A Q16665 5/20 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
SCHEMBL6710477 0.94 TNIK (0.38) TNIKPGRCSF1RNTRK1LCK
SCHEMBL6710333 0.89 GPR27 (0.39) PGRHIF1A
SCHEMBL6708879 0.88 HIF1A (0.41) CSNK2A1HIF1A
SCHEMBL6711507 0.88 MEN1 (0.39) POLB
SCHEMBL6711824 0.88 IMPDH2 (0.37) LRRK2HIF1A
SCHEMBL6709988 0.88 TNIK (0.35) TNIKCSNK2A1HIF1A
SCHEMBL6713401 0.86 TNIK (0.36) TNIKPGRCSF1RNTRK1LCK
SCHEMBL6710167 0.86 ESR1 (0.38) TNIKLRRK2HIF1A
SCHEMBL6707637 0.85 HIF1A (0.39) MAPTHIF1A
SCHEMBL6710001 0.85 HIF1A (0.34) LRRK2HIF1A

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 TNIK 1147/4885PGR 3743/4885CSF1R 1430/4885

“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.