SCHEMBL17625979

SCHEMBL17625979

Clc1ccc(-c2[c]nsc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.35
CYP1A2 P05177 1/20 0.34
GCGR P47871 1/20 0.34
GFER P55789 1/20 0.34
RAB9A P51151 4/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2A6 P11509 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
LTA4H P09960 1/20 0.33
MAPT P10636 2/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL222947 0.62
SCHEMBL482925 0.62 NOTUM (0.35) NOTUMCYP1A2GCGRLMNAKDM4E
SCHEMBL1654513 0.62 NOTUM (0.39) NOTUMCYP1A2RAB9ALMNAKDM4E
SCHEMBL4591164 0.62 CYP1A2 (0.39) NOTUMCYP1A2RAB9ALMNAKDM4E
SCHEMBL28215 0.61 CYP1A2 (0.73) NOTUMCYP1A2RAB9ALMNANPC1
SCHEMBL11165087 0.61 CYP1A2 (0.73) NOTUMCYP1A2RAB9ALMNANPC1
SCHEMBL3952742 0.61 CYP1A2 (0.73) NOTUMCYP1A2RAB9ALMNANPC1
SCHEMBL15955684 0.61 BACE1 (0.41) NOTUMCYP1A2RAB9AKDM4ENPC1
SCHEMBL8171245 0.61 CYP19A1 (0.38) NOTUMCYP1A2GCGRLMNACYP2A6
SCHEMBL1040912 0.61 KCNH2 (0.37) NOTUMGFERRAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
CN-109776537-B Purine diones as WNT pathway modulators 新加坡科技研究局 2021-12-14 CN disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 US disclosed
US-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 US disclosed
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-18 US disclosed
EP-2999699-B1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2020-04-29 EP 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
EP-2999699-A1 PURINE DIONES AS WNT PATHWAY MODULATORS Agency For Science, Technology And Research (SG) 2016-03-30 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 (9 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 NOTUM 4296/4885CYP1A2 144/4885GCGR 516/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885CYP1A2 144/4885GCGR 516/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885CYP1A2 144/4885GCGR 516/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 NOTUM 4491/4885CYP1A2 452/4885GCGR 544/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 NOTUM 4296/4885CYP1A2 144/4885GCGR 516/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NOTUM 4491/4885CYP1A2 452/4885GCGR 544/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885CYP1A2 144/4885GCGR 516/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NOTUM 4491/4885CYP1A2 452/4885GCGR 544/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 NOTUM 4296/4885CYP1A2 144/4885GCGR 516/4885

“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.