SCHEMBL17626061

SCHEMBL17626061

NC(=O)Nc1ccc(-c2cs[c]n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 8/20 0.47
▸ PEPD P12955 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ IKBKB O14920 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL17626004 0.84 SMN1; SMN2 (0.55) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL17626115 0.81 NPC1 (0.60) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL16322148 0.79 MAP4K4 (0.44) ALDH1A1
SCHEMBL17626108 0.75 KIF11 (0.40) KIF11NPC1RAB9AMEN1KMT2A
SCHEMBL17626008 0.73 KDM4E (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7469465 0.73 KIF11 (0.49) KIF11PEPDALDH1A1NPC1MEN1
SCHEMBL10515566 0.72 LTA4H (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL17626009 0.72 ALDH1A1 (0.40) KIF11ALDH1A1NPC1RAB9AMEN1
SCHEMBL19627035 0.71 RAB9A (0.70) KIF11ALDH1A1NPC1RAB9AMEN1
SCHEMBL4630961 0.71 KIF11 (0.63) KIF11PEPDALDH1A1NPC1GAA

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 KIF11 4813/4885PEPD 3488/4885ALDH1A1 1166/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 KIF11 4813/4885PEPD 3488/4885ALDH1A1 1166/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 KIF11 4813/4885PEPD 3488/4885ALDH1A1 1166/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 KIF11 4829/4885PEPD 4025/4885ALDH1A1 1754/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 KIF11 4813/4885PEPD 3488/4885ALDH1A1 1166/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 KIF11 4829/4885PEPD 4025/4885ALDH1A1 1754/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 KIF11 4813/4885PEPD 3488/4885ALDH1A1 1166/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 KIF11 4829/4885PEPD 4025/4885ALDH1A1 1754/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 KIF11 4813/4885PEPD 3488/4885ALDH1A1 1166/4885

“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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