SCHEMBL18010801

SCHEMBL18010801

O=C1Cc2c(Br)cccc2C(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.58
PIM1 P11309 1/20 0.58
CSNK1A1 P48729 1/20 0.58
ROCK1 Q13464 1/20 0.58
DYRK1A Q13627 1/20 0.58
LRRK2 Q5S007 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
PARP10 Q53GL7 1/20 0.54
PARP11 Q9NR21 1/20 0.54
TDP2 O95551 14/20 0.52
CASP3 P42574 1/20 0.52
CASP7 P55210 1/20 0.52
CASP9 P55211 1/20 0.52
CASP6 P55212 1/20 0.52
CASP8 Q14790 1/20 0.52
MAP3K14 Q99558 1/20 0.52
GSK3B P49841 2/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL22526396 0.78 PARP1 (0.54) CDK5PARP10PARP11TDP2CASP3
SCHEMBL22904170 0.78 TDP2 (0.52) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904534 0.78 PARP1 (0.54) CDK5TDP2CASP3CASP7CASP9
SCHEMBL29444532 0.77 CDK5 (0.54) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL19938 0.77 CDK5 (0.54) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL24029524 0.75 TDP2 (0.49) TDP2CASP3CASP7CASP9CASP6
SCHEMBL24778047 0.75 TDP2 (0.47) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL25123374 0.75 GSK3B (0.50) CDK5TDP2CASP3CASP7CASP9
SCHEMBL38660434 0.74 CDK5 (0.52) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL22525285 0.74 TDP2 (0.47) CDK5PARP10PARP11TDP2CASP3

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
WO-2022140631-A1 EXO VII INHIBITOR AND QUINOLONE ANTIBIOTIC COMBINATION USEFUL FOR TREATING BACTERIAL INFECTIONS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-06-30 WO disclosed
US-20160243149-A1 NOVEL ANTI-VIRAL THERAPEUTIC THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-08-25 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-20160243149-A1 NOVEL ANTI-VIRAL THERAPEUTIC RNASEH1, DNASE1L3, DNASE1 CDK5 2813/4885PIM1 3807/4885CSNK1A1 1090/4885

“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.