SCHEMBL9574602

SCHEMBL9574602

CN1CCc2sc(N)nc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.50
RECQL P46063 1/20 0.50
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
DRD2 P14416 4/20 0.47
MAPT P10636 4/20 0.47
HRH3 Q9Y5N1 3/20 0.47
DRD3 P35462 3/20 0.47
LMNA P02545 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
OPRK1 P41145 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.39

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
SCHEMBL3312231 0.87 DRD2 (0.57) RAD52RECQLAPOBEC3AAPOBEC3GDRD2
SCHEMBL114205 0.85 RAD52 (0.63) RAD52RECQLAPOBEC3AAPOBEC3GDRD2
Bromide SCHEMBL1253502 0.84 RAD52 (0.61) RAD52RECQLAPOBEC3AAPOBEC3GDRD2
SCHEMBL8277491 0.79 HRH3 (0.48) RAD52MAPTHRH3LMNAKDM4E
SCHEMBL9574589 0.79 HRH3 (0.48) RAD52DRD2MAPTHRH3DRD3
SCHEMBL3312725 0.79 RAD52 (0.55) RAD52RECQLAPOBEC3AAPOBEC3GDRD2
SCHEMBL19454164 0.78 HRH3 (0.47) RAD52DRD2MAPTHRH3DRD3
SCHEMBL3244308 0.77 HRH3 (0.47) RAD52RECQLDRD2MAPTHRH3
SCHEMBL21146013 0.77 RAD52 (0.46) RAD52RECQLAPOBEC3AAPOBEC3GDRD2
SCHEMBL15043844 0.76 DRD3 (0.57) RAD52RECQLAPOBEC3AAPOBEC3GDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-06-04 US disclosed
US-9580416-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-02-28 US disclosed
US-9580416-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-02-28 US disclosed
US-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE SCHRODINGER, LLC 2016-01-07 US disclosed
US-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE SCHRODINGER, LLC 2016-01-07 US disclosed
EP-0555480-A1 NOVEL THIAZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP 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 (3 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-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK RAD52 1699/4885RECQL 972/4885APOBEC3A 1635/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 RAD52 3713/4885RECQL 1319/4885APOBEC3A 4752/4885
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 RAD52 3580/4885RECQL 1253/4885APOBEC3A 4794/4885

“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.