SCHEMBL17626009

SCHEMBL17626009

Nc1ccc(-c2cs[c]n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ATP4A P20648 2/20 0.39
▸ ATP4B P51164 2/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ APP P05067 2/20 0.37
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ THPO P40225 1/20 0.35

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
SCHEMBL1916309 0.79 KMT2A (0.47) ALDH1A1TDP1METAP2MEN1KMT2A
SCHEMBL468044 0.79 RAB9A (0.41) ALDH1A1METAP2MEN1KMT2AMAPT
SCHEMBL5540279 0.79 RAB9A (0.47) ALDH1A1CYP3A4TP53MEN1KMT2A
SCHEMBL10515566 0.79 LTA4H (0.46) ALDH1A1TP53TDP1ATP4AATP4B
SCHEMBL500232 0.79 RAB9A (0.46) ALDH1A1ATP4AATP4BMEN1KMT2A
SCHEMBL971162 0.79 RAB9A (0.39) TP53MEN1KMT2AMAPTHPGD
SCHEMBL70645 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4TP53MEN1KMT2A
SCHEMBL443517 0.78 LMNA (0.43) CYP3A4TP53KMT2AMAPTRAB9A
SCHEMBL4711911 0.77 RECQL (0.50) ALDH1A1CYP3A4TP53METAP2MEN1
SCHEMBL468050 0.76 KIF11 (0.50) ALDH1A1MEN1KMT2AKDM4EALOX5

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 16 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
CN-101331125-A N-(5-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 — — 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 ALDH1A1 1166/4885CYP3A4 419/4885TP53 2830/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885CYP3A4 419/4885TP53 2830/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885CYP3A4 419/4885TP53 2830/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 ALDH1A1 1754/4885CYP3A4 696/4885TP53 2223/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885CYP3A4 419/4885TP53 2830/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 ALDH1A1 1754/4885CYP3A4 696/4885TP53 2223/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885CYP3A4 419/4885TP53 2830/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 ALDH1A1 1754/4885CYP3A4 696/4885TP53 2223/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885CYP3A4 419/4885TP53 2830/4885

“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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