SCHEMBL21135573

SCHEMBL21135573

OCC1CCCN(c2ncc(Br)s2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.46
TYMP P19971 2/20 0.43
KHK P50053 1/20 0.42
MAP4K4 O95819 1/20 0.42
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
IRAK1 P51617 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE10A Q9Y233 3/20 0.36

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
SCHEMBL6104610 0.85 FPR2 (0.34) CDK8ALDH1A1PDE10A
SCHEMBL22206931 0.82 PDE10A (0.41) TYMPPDE10A
SCHEMBL1839601 0.77 TYMP (0.45) CDK8TYMPKHKMAP4K4POLB
SCHEMBL21136653 0.76 OGA (0.47) CDK8KHKPIK3CAMTORKDM4E
SCHEMBL6103557 0.74 HRH3 (0.40) ALDH1A1
SCHEMBL6103565 0.74 HRH3 (0.40) ALDH1A1
SCHEMBL14157431 0.74 ALDH1A1 (0.56) POLBHTTKMT2AKDM4EALDH1A1
SCHEMBL22216826 0.74 ALDH1A1 (0.52) POLBHTTKMT2AKDM4EALDH1A1
SCHEMBL21135461 0.72 POLB (0.42) CDK8TYMPKHKMAP4K4POLB
SCHEMBL28152923 0.72 ALDH1A1 (0.59) POLBHTTKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371196-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION UNIV MONTREAL (CA) 2021-10-27 EP disclosed
US-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation UNIVERSITE DE MONTREAL (CA) 2019-06-25 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-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation F12, F2, F3 CDK8 1576/4885TYMP 1450/4885KHK 2840/4885

“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.