SCHEMBL30108557

SCHEMBL30108557

Cc1ncnn1-c1ccc(Br)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP11B1 P15538 1/20 0.32
XDH P47989 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
SCHEMBL24774169 1.00 PCSK9 (0.41) PCSK9CHRNB2CHRNA4BRD4NPC1
SCHEMBL24185658 0.79 NPC1 (0.40) PCSK9BRD4NPC1ALDH1A1MAPT
SCHEMBL24185394 0.79 POLB (0.46) PCSK9CHRNB2CHRNA4BRD4
SCHEMBL26643954 0.79 NOS3 (0.44) PCSK9CHRNB2CHRNA4BRD4NPC1
SCHEMBL30108509 0.77 PCSK9 (0.44) PCSK9BRD4
SCHEMBL24774189 0.77 PCSK9 (0.44) PCSK9BRD4
SCHEMBL15723543 0.75 XDH (0.45) PCSK9NPC1ALDH1A1MAPTXBP1
SCHEMBL24185623 0.74 LMNA (0.45) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL24774174 0.73 PCSK9 (0.44) PCSK9BRD4
SCHEMBL24774165 0.73 KCNJ1 (0.49) PCSK9BRD4NPC1ALDH1A1RAB9A

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
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN BIOTECH, INC. 2024-08-22 US disclosed
CN-117881661-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-04-12 CN disclosed
EP-4347036-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 EP disclosed
WO-2022253255-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 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-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 PCSK9 505/4885CHRNB2 4671/4885CHRNA4 4727/4885

“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.