SCHEMBL2030331

SCHEMBL2030331

COC(=O)c1nc(-c2ccc(N)cc2)cn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.46
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 2/20 0.40
ALDH1A3 P47895 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
SCN9A Q15858 2/20 0.38
ALDH1A2 O94788 1/20 0.38
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL12582233 0.87 RAB9A (0.48) TLR8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL20085562 0.86 MAPT (0.41) TLR8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL260602 0.85 ALDH1A1 (0.51) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL22808247 0.79 TLR8 (0.37) TLR8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2030314 0.77 PSMB8 (0.47) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5891162 0.76 NPSR1 (0.39) TLR8ALDH1A1TP53KDM4EGLA
SCHEMBL10099702 0.75 MAPT (0.54) TLR8RAB9ANPC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5891157 0.74 NPSR1 (0.38) TLR8ALDH1A1TP53KDM4EGLA
SCHEMBL15527464 0.74 CCNC (0.39) TLR8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL30098806 0.73 CASP3 (0.50) TLR8RAB9ANPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-22 US disclosed
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 US disclosed
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
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
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
EP-1727808-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS Spirogen Limited (GB) 2006-12-06 EP disclosed
WO-2005085177-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2005-09-15 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 (5 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 TLR8 2368/4885RAB9A 3598/4885NPC1 2882/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 TLR8 2460/4885RAB9A 3625/4885NPC1 2756/4885
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF TLR8 4469/4885RAB9A 3108/4885NPC1 2913/4885
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF TLR8 4469/4885RAB9A 3108/4885NPC1 2913/4885
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF TLR8 4469/4885RAB9A 3108/4885NPC1 2913/4885

“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.