SCHEMBL2053008

SCHEMBL2053008

Oc1ccc2[nH]c(-c3ccc[nH]3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 3/20 0.41
CBFB Q13951 1/20 0.41
CHEK1 O14757 2/20 0.40
WEE1 P30291 1/20 0.40
NPC1 O15118 4/20 0.40
GBA1 P04062 1/20 0.40
RAB9A P51151 3/20 0.40
ATM Q13315 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
RAD51 Q06609 1/20 0.40
AURKB Q96GD4 2/20 0.39
PRKD3 O94806 1/20 0.39
PAK4 O96013 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39
MAP2K2 P36507 1/20 0.39

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
SCHEMBL2053009 0.88 CBFB (0.55) AMY1ACBFBCHEK1NPC1GBA1
SCHEMBL3195220 0.81 SMN1; SMN2 (0.45) NPC1GBA1RAB9AATMERAP1
SCHEMBL8190396 0.81 ESR1 (0.48) AMY1ANPC1GBA1RAB9AATM
SCHEMBL14601535 0.81 AMY1A (0.51) AMY1ACBFBCHEK1NPC1RAB9A
SCHEMBL6753170 0.79 F2 (0.56)
SCHEMBL3201183 0.79 NPBWR1 (0.51) CHEK1NPC1RAB9ANPSR1LIMK1
SCHEMBL2048080 0.78 NPC1 (0.64) NPC1GBA1RAB9ANPSR1GAA
SCHEMBL4495899 0.77 AMY1A (0.53) AMY1ACBFBNPC1RAB9ANPSR1
SCHEMBL1803416 0.76 ESR1 (0.56) NPC1RAB9ANPSR1KDM4EALDH1A1
SCHEMBL6282502 0.76 GAA (0.53) CBFBCHEK1NPC1RAB9AATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727808-B3 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2013-01-09 EP disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 US disclosed
EP-1727808-B1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2008-11-12 EP disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 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 (2 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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA AMY1A 2286/4885CBFB 51/4885CHEK1 718/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 AMY1A 2012/4885CBFB 48/4885CHEK1 686/4885

“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.