SCHEMBL17626014

SCHEMBL17626014

Clc1ccc(-c2ccn[c]n2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 10/20 0.49
AHR P35869 4/20 0.46
CYP1B1 Q16678 1/20 0.41
NOTUM Q6P988 1/20 0.41
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL15477525 0.76 KMO (0.45) KMONOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL3597375 0.71 RAB9A (0.41) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL2752724 0.70 AHR (0.46) KMOAHRCYP1B1NOTUMNPC1
SCHEMBL1832864 0.70 LMNA (0.43) NOTUMNPC1RAB9AKDM4EMAPT
SCHEMBL990826 0.70
SCHEMBL16719829 0.69 BRD4 (0.42) AHRKDM4EHPGDALDH1A1MEN1
SCHEMBL7025252 0.69 DGAT1 (0.36) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL16720101 0.69 HSD17B1 (0.52) PIK3CA
SCHEMBL7855774 0.69 MAPT (0.44) AHRPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL2163999 0.68 DCLK1 (0.61) KMOAHRPIK3CAPIK3CBPIK3CG

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 KMO 1039/4885AHR 14/4885CYP1B1 180/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 KMO 1039/4885AHR 14/4885CYP1B1 180/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 KMO 1039/4885AHR 14/4885CYP1B1 180/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 KMO 964/4885AHR 13/4885CYP1B1 403/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 KMO 1039/4885AHR 14/4885CYP1B1 180/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 KMO 964/4885AHR 13/4885CYP1B1 403/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 KMO 1039/4885AHR 14/4885CYP1B1 180/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 KMO 964/4885AHR 13/4885CYP1B1 403/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 KMO 1039/4885AHR 14/4885CYP1B1 180/4885

“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.