SCHEMBL22987199

SCHEMBL22987199

O=c1[nH]cnc2c(-c3ccc(CO)cc3)nsc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 7/20 0.41
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM5B Q9UGL1 1/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CDC7 O00311 1/20 0.36
IKBKB O14920 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 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
SCHEMBL17968388 0.85 PDPK1 (0.43) PDPK1RAB9AHPGDKDM5BPIM1
SCHEMBL17968392 0.82 PDPK1 (0.59) PDPK1KDM4ERAB9APIM1PIM3
SCHEMBL17966201 0.82 NPC1 (0.51) PDPK1KDM4ERAB9AGAAHPGD
SCHEMBL17968377 0.81 PDPK1 (0.56) PDPK1KDM4ERAB9AGAAHPGD
SCHEMBL17968383 0.74 RAB9A (0.40) PDPK1KDM4ERAB9AGAAHPGD
SCHEMBL17968384 0.72 TSHR (0.46) PDPK1RAB9AHPGDPIM1PIM3
SCHEMBL17966208 0.69 PKM (0.55) PDPK1KDM4ERAB9AGAAHPGD
SCHEMBL9930966 0.66 PDPK1 (0.42) PDPK1KDM4ERAB9AGAAHPGD
SCHEMBL26362664 0.66 PARP1 (0.42) KDM5BPARP1
SCHEMBL10429313 0.66 NOTUM (0.38) KDM4EHPGDPIM1PIM3CDK2

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
US-20210323978-A1 ISOTHIAZOLOPYRIMIDINONES, PYRAZOLOPYRIMIDINONES, AND PYRROLOPYRIMIDINONES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-21 US disclosed
US-10927130-B2 Isothiazolopyrimidinones, pyrazolopyrimidinones, and pyrrolopyrimidinones as ubiquitin-specific protease 7 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-02-23 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 (2 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-10927130-B2 Isothiazolopyrimidinones, pyrazolopyrimidinones, and pyrrolopyrimidinones as ubiquitin-specific protease 7 inhibitors USP7, USP3, SENP7 PDPK1 1233/4885KDM4E 1778/4885RAB9A 1946/4885
US-20210323978-A1 ISOTHIAZOLOPYRIMIDINONES, PYRAZOLOPYRIMIDINONES, AND PYRROLOPYRIMIDINONES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, USP3, SENP7 PDPK1 1233/4885KDM4E 1778/4885RAB9A 1946/4885

“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.