SCHEMBL6710191

SCHEMBL6710191

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(OC[C@H](O)CO)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.38
CHEK1 O14757 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ROCK2 O75116 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE10A Q9Y233 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
MAP2K1 Q02750 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL6710200 1.00 ALK (0.38) ALKCHEK1LMNAMAPTRXFP1
SCHEMBL6707714 0.92 NR2E1 (0.35) ALKLMNAMAPTRXFP1ROCK2
SCHEMBL6710199 0.89 HIF1A (0.35) LMNAMAPTRXFP1KDM4EMEN1
SCHEMBL6710196 0.89 HIF1A (0.35) LMNAMAPTRXFP1KDM4EMEN1
SCHEMBL6710113 0.89 IRAK4 (0.39) LMNAMAPTRXFP1KDM4EMEN1
SCHEMBL6710121 0.89 IRAK4 (0.39) LMNAMAPTRXFP1KDM4EMEN1
SCHEMBL6708936 0.88 KDM1A (0.34) LMNAMAPTRXFP1SMN1; SMN2HSD17B10
SCHEMBL6710432 0.87 LMNA (0.35) LMNAMAPTRXFP1SMN1; SMN2HSD17B10
SCHEMBL6710365 0.87 KDM1A (0.39) LMNAMAPTRXFP1MAP2K1KDM1A
SCHEMBL6709131 0.87 PPIA (0.39) LMNAMAPTRXFP1KDM1A

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 ALK 3005/4885CHEK1 3473/4885LMNA 4062/4885

“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.