SCHEMBL26422208

SCHEMBL26422208

Cc1nccnc1-c1ccc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GBA1 P04062 1/20 0.35
CA2 P00918 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SPR P35270 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32

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
SCHEMBL31049778 0.78 METAP2 (0.51) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL31049777 0.78 METAP2 (0.51) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL23329668 0.77 GBA1 (0.33) GBA1KDM4EALDH1A1NPC1MAPK1
SCHEMBL22510350 0.77 GBA1 (0.40) GBA1KDM4EALDH1A1NPC1MAPK1
SCHEMBL22510346 0.74 ALDH1A1 (0.40) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL22498667 0.74 ADRA2A (0.31) GBA1CA2ADRA2AADRA2BADRA2C
SCHEMBL22498669 0.74 ADRA2A (0.31) GBA1CA2ADRA2AADRA2BADRA2C
SCHEMBL29434541 0.74 ADRA2A (0.31) GBA1CA2ADRA2AADRA2BADRA2C
SCHEMBL29659858 0.74 ADRA2A (0.31) GBA1CA2ADRA2AADRA2BADRA2C
SCHEMBL29659808 0.74 ALDH1A1 (0.40) KDM4EALDH1A1NPC1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 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-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, GSTO1 CCR1 3281/4885CCR5 2229/4885CCR8 3453/4885

“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.