SCHEMBL17628668

SCHEMBL17628668

Cc1cnc(-c2[c]cccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
KDR P35968 1/20 0.36
NOS1 P29475 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
SRC P12931 1/20 0.33
CDK2 P24941 1/20 0.33
ZAP70 P43403 1/20 0.33
SYK P43405 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 2/20 0.33
SLC6A3 Q01959 1/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL15826233 0.75 SRC (0.33) HDAC4NOS1ADORA2AADORA1SRC
SCHEMBL9958570 0.71 ALDH1A1 (0.39) NOS1ADORA2AADORA1NPC1RAB9A
SCHEMBL158096 0.71 HDAC4 (0.52) HDAC4KDRNOS1NPC1RAB9A
SCHEMBL10002194 0.71 NOS1 (0.55) HDAC4KDRNOS1ADORA2AADORA1
SCHEMBL23176768 0.68 ALDH1A1 (0.41) HDAC4KDRNOS1NPC1RAB9A
SCHEMBL533159 0.68 HDAC4 (0.43) HDAC4KDRNOS1ADORA2AADORA1
SCHEMBL11126054 0.68 PDE10A (0.49) NOS1ADORA2AADORA1NPC1RAB9A
SCHEMBL12116515 0.67 ALDH1A1 (0.58) KDRSRCCDK2ZAP70SYK
SCHEMBL715027 0.67 NPC1 (0.42) NPC1RAB9APKM
SCHEMBL578376 0.67 PDPK1 (0.52) HDAC4KDRNOS1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 US disclosed
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-06-21 US disclosed
US-9926320-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-27 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20160090386-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-31 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 (5 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-20160090386-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 HDAC4 4418/4885KDR 940/4885NOS1 4071/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 HDAC4 4418/4885KDR 940/4885NOS1 4071/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 HDAC4 4418/4885KDR 940/4885NOS1 4071/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 HDAC4 3952/4885KDR 850/4885NOS1 4340/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 HDAC4 4418/4885KDR 940/4885NOS1 4071/4885

“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.