SCHEMBL6710477

SCHEMBL6710477

CS(=O)(=O)Nc1ccc2onc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.38
LRRK2 Q5S007 9/20 0.35
CSF1R P07333 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PGR P06401 3/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
CSNK2A1 P68400 1/20 0.33
NR3C1 P04150 2/20 0.33
NR3C2 P08235 2/20 0.33
AR P10275 1/20 0.33
HIF1A Q16665 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
SCHEMBL6711786 0.94 TNIK (0.38) TNIKLRRK2CSF1RTP53POLB
SCHEMBL6708933 0.89 LRRK2 (0.38) LRRK2HIF1A
SCHEMBL6713466 0.89 GPR27 (0.39) PGRHIF1A
SCHEMBL6707764 0.88 HIF1A (0.41) POLBCSNK2A1HIF1A
SCHEMBL6708665 0.88 IMPDH2 (0.35) LRRK2HIF1A
SCHEMBL6708095 0.88 MEN1 (0.39)
SCHEMBL6709880 0.88 TNIK (0.35) TNIKMAPTCSNK2A1HIF1A
SCHEMBL6708048 0.86 TNIK (0.36) TNIKLRRK2CSF1RTP53POLB
SCHEMBL6709855 0.85 F2 (0.43) LRRK2HIF1A
SCHEMBL6707642 0.85 LRRK2 (0.37) LRRK2TP53POLBMAPTHIF1A

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 1147/4885LRRK2 4612/4885CSF1R 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.