SCHEMBL3784518

SCHEMBL3784518

Nc1ccc(-c2cccc(CO)c2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.44
CD274 Q9NZQ7 3/20 0.44
KDR P35968 3/20 0.39
KIT P10721 2/20 0.39
FLT3 P36888 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PRKCZ Q05513 1/20 0.37
DPP4 P27487 1/20 0.36
APP P05067 2/20 0.35
CHEK1 O14757 2/20 0.35
DAPK3 O43293 1/20 0.35
ABL1 P00519 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
LIMK1 P53667 1/20 0.35

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
SCHEMBL3787583 0.86 PDCD1 (0.60) PDCD1CD274KDRALDH1A1HSD17B10
SCHEMBL3791232 0.84 DPP4 (0.50) KDRKITFLT3CYP3A4TDP1
SCHEMBL3786432 0.83 DPP4 (0.48) PDCD1CD274KDRKITFLT3
SCHEMBL3785999 0.83 ALDH1A1 (0.47) PDCD1CD274CYP3A4TDP1ALDH1A1
SCHEMBL10714813 0.80 CYP2C9 (0.53) TDP1CYP2C9HPGDCYP2C19
SCHEMBL27841335 0.79 KDR (0.36) PDCD1CD274KDRKITFLT3
SCHEMBL15390567 0.78 APOBEC3G (0.44) PDCD1CD274CYP3A4TDP1ALDH1A1
SCHEMBL379635 0.77 PDCD1 (0.39) PDCD1CD274KDRKITFLT3
SCHEMBL3786241 0.76 ALDH1A1 (0.52) PDCD1CD274CYP3A4TDP1ALDH1A1
SCHEMBL3789766 0.75 ALDH1A1 (0.43) KDRKITFLT3CYP3A4TDP1

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PDCD1 465/4885CD274 1253/4885KDR 1921/4885

“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.