SCHEMBL4723565

SCHEMBL4723565

Oc1cc2ncccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 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
SCHEMBL28428414 0.78 CHRM2 (0.55) CHRNB2CHRNA4ALDH1A1MEN1CASP1
SCHEMBL2913826 0.75 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1CHRM2CHRM4
SCHEMBL8275384 0.75 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1CHRM2CHRM4
SCHEMBL14811086 0.75 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1MEN1CASP1
SCHEMBL18660627 0.75 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1MEN1CASP1
SCHEMBL14377332 0.75 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1MEN1CASP1
SCHEMBL5108619 0.75 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1MEN1CASP1
SCHEMBL721835 0.73 CHRNB2 (0.44) CHRNB2CHRNA4ALDH1A1MEN1CASP1
SCHEMBL30765277 0.73 CHRNB2 (0.44) CHRNB2CHRNA4ALDH1A1MEN1CASP1
SCHEMBL7848655 0.73 CHRM2 (0.51) CHRNB2CHRNA4ALDH1A1MEN1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115040532-A Treatment of cancer using TLR9 agonists and checkpoint inhibitors 伊黛拉制药有限公司 2022-09-13 CN disclosed
CN-106999574-B Treatment of cancer using TLR9 agonists and checkpoint inhibitors 伊黛拉制药有限公司 2022-05-24 CN disclosed
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF CHRNB2 4699/4885CHRNA4 4867/4885ALDH1A1 1842/4885

“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.