Sugi Predict

Sugi Predict / Compounds / SCHEMBL3602045

SCHEMBL3602045

SCHEMBL3602045

O=C1OCCN1c1c[c]ccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.39
▸ KDM1A O60341 6/20 0.36
▸ MAOA P21397 4/20 0.36
▸ MAOB P27338 4/20 0.36
▸ RCOR1 Q9UKL0 4/20 0.36
▸ KDM1B Q8NB78 2/20 0.36
▸ SLC9A3 P48764 1/20 0.36
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL1031728 0.79 TNKS (0.42) TNKSKDM1AMAOAMAOBRCOR1
SCHEMBL297319 0.78 MEN1 (0.54) TNKSKDM1ASLC9A3MEN1NPC1
SCHEMBL1418830 0.78 F10 (0.43) F10PIK3CA
Hydrochloric Acid SCHEMBL30765001 0.77 TNKS (0.52) TNKSKDM1AMAOAMAOBRCOR1
SCHEMBL27645807 0.77 TNKS (0.52) TNKSKDM1ASLC9A3MEN1NPC1
SCHEMBL28499191 0.74 ALDH1A1 (0.38) MEN1NPC1RAB9AKMT2A
Boric Acid SCHEMBL27822670 0.72 TNKS (0.49) TNKSKDM1AMAOAMAOBRCOR1
SCHEMBL3927618 0.72 EGLN2 (0.36) TNKSKDM1AMAOAMAOBRCOR1
SCHEMBL1936882 0.71 DDB1 (0.51) TNKSKDM1AMAOAMAOBRCOR1
SCHEMBL1284684 0.71 ALDH1A1 (0.50) MEN1NPC1RAB9AKMT2A

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 — — US claimed
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 — — CN claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 — — US claimed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 — — US claimed
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 — — US claimed
CN-114761000-A Substituted 1, 6-naphthyridine inhibitors of CDK5 金翅雀生物公司 2022-07-15 — — CN claimed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 — — WO claimed
WO-2021067569-A1 SUBSTITUTED 1, 6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2021-04-08 — — WO claimed
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 — — US claimed
EP-3010910-B1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MYOKARDIA INC (US) 2020-02-05 — — EP claimed
US-20180311242-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2018-11-01 — — US claimed
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2017-10-05 — — US claimed
US-9585883-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2017-03-07 — — US claimed
EP-3010910-A1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS Myokardia, Inc. (US) 2016-04-27 — — EP claimed
US-9181200-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2015-11-10 — — US claimed
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2014-12-25 — — US claimed
WO-2014205223-A1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2014-12-24 — — WO claimed
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 — — US disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 — — WO disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 — — 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 (7 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-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 TNKS 3929/4885KDM1A 3986/4885MAOA 480/4885
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD TNKS 950/4885KDM1A 3838/4885MAOA 2858/4885
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD TNKS 950/4885KDM1A 3838/4885MAOA 2858/4885
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 CDK5, CDK5R1, PKD1 TNKS 420/4885KDM1A 2805/4885MAOA 3243/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD TNKS 950/4885KDM1A 3838/4885MAOA 2858/4885
US-20180311242-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD TNKS 950/4885KDM1A 3838/4885MAOA 2858/4885
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD TNKS 950/4885KDM1A 3838/4885MAOA 2858/4885

“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.