SCHEMBL24645486

SCHEMBL24645486

Cn1nc(Cl)c2ccc(CN)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ROCK1 Q13464 1/20 0.36
PNMT P11086 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
CSNK2A1 P68400 7/20 0.35
BPTF Q12830 2/20 0.34
BRD4 O60885 1/20 0.34
USP14 P54578 1/20 0.33
ESR1 P03372 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
NSD2 O96028 1/20 0.32
ASH1L Q9NR48 1/20 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
Hydrochloric Acid SCHEMBL29889437 0.98 CSNK2A1 (0.36) LOXLOXL3LOXL2ROCK1PNMT
Hydrochloric Acid SCHEMBL21409012 0.98 CSNK2A1 (0.36) LOXLOXL3LOXL2ROCK1PNMT
Hydrochloric Acid SCHEMBL21409087 0.85 CSNK2A1 (0.36) LOXLOXL3LOXL2ROCK1PNMT
SCHEMBL24337953 0.83 RECQL (0.37) ADORA2AADORA2BUSP14ESR1RET
SCHEMBL29491336 0.83 RECQL (0.37) ADORA2AADORA2BUSP14ESR1RET
SCHEMBL24645437 0.81 ADORA2A (0.53) ROCK1ADORA2AADORA2B
Hydrochloric Acid SCHEMBL29890527 0.80 ADORA2A (0.52) ROCK1ADORA2AADORA2B
Hydrochloric Acid SCHEMBL21409055 0.80 ADORA2A (0.52) ROCK1ADORA2AADORA2B
SCHEMBL15068967 0.77 DDB1 (0.47) ADORA2AADORA2BESR1NSD2
SCHEMBL23474004 0.75 ADORA2A (0.44) ADORA2AADORA2BESR1

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-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 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-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 LOX 349/4885LOXL3 1257/4885LOXL2 1064/4885

“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.