SCHEMBL17626272

SCHEMBL17626272

CS(=O)(=O)Nc1cccc(-c2cs[c]n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.60
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ TP53 P04637 2/20 0.52
▸ ALDH1A1 P00352 6/20 0.51
▸ CYP1A2 P05177 4/20 0.51
▸ CYP3A4 P08684 4/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CLK4 Q9HAZ1 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ KIF11 P52732 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL3947270 0.81 PLK1 (0.40) HTTTP53ALDH1A1TSHRMAPK1
SCHEMBL3943459 0.75 BRAF (0.33) HTTJAK2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL25735674 0.75 HTT (0.76) HTTNPC1RAB9AJAK2TP53
SCHEMBL19626761 0.75 HTT (1.00) HTTNPC1RAB9AJAK2TP53
SCHEMBL17626118 0.75 MAPT (0.35) HTTNPC1RAB9ATP53ALDH1A1
SCHEMBL29042378 0.75 MAPT (0.43) HTTNPC1RAB9ATP53ALDH1A1
SCHEMBL1915009 0.72 IDO1 (0.45) NPC1RAB9AALDH1A1TSHRKDM4E
SCHEMBL17626045 0.72 ALDH1A1 (0.49) NPC1RAB9ATP53ALDH1A1TSHR
SCHEMBL19625408 0.72 HTT (0.74) HTTNPC1RAB9AJAK2TP53
SCHEMBL21092440 0.72 KIF11 (0.69) NPC1RAB9AJAK2TP53CYP1A2

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 15 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
CN-109776537-A Purinedione as WNT pathway modulators 新加坡科技研究局 2019-05-21 — — CN 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
CN-105452248-A Purine diones as WNT pathway modulators AGENCY SCIENCE TECH & RES 2016-03-30 — — CN 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 HTT 3968/4885NPC1 2489/4885RAB9A 3162/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 HTT 3968/4885NPC1 2489/4885RAB9A 3162/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 HTT 3968/4885NPC1 2489/4885RAB9A 3162/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 HTT 3227/4885NPC1 2768/4885RAB9A 3313/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 HTT 3968/4885NPC1 2489/4885RAB9A 3162/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 HTT 3227/4885NPC1 2768/4885RAB9A 3313/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 HTT 3968/4885NPC1 2489/4885RAB9A 3162/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 HTT 3227/4885NPC1 2768/4885RAB9A 3313/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 HTT 3968/4885NPC1 2489/4885RAB9A 3162/4885

“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.

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