Sugi Predict

Sugi Predict / Compounds / SCHEMBL2054583

SCHEMBL2054583

SCHEMBL2054583

CC(C)(C)c1ccnc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ KDM5A P29375 2/20 0.55
▸ KDM4C Q9H3R0 2/20 0.55
▸ KDM5B Q9UGL1 2/20 0.55
▸ KDM6B O15054 1/20 0.55
▸ TET3 O43151 1/20 0.55
▸ KDM4A O75164 1/20 0.55
▸ BBOX1 O75936 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KDM5C P41229 1/20 0.55
▸ ASPH Q12797 1/20 0.55
▸ KDM4D Q6B0I6 1/20 0.55
▸ TET2 Q6N021 1/20 0.55
▸ ALKBH5 Q6P6C2 1/20 0.55
▸ KDM7A Q6ZMT4 1/20 0.55
▸ KDM8 Q8N371 1/20 0.55
▸ TET1 Q8NFU7 1/20 0.55
▸ EGLN2 Q96KS0 1/20 0.55
▸ FTO Q9C0B1 1/20 0.55

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
SCHEMBL29538013 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EKDM5AKDM4CKDM5B
Hydrochloric Acid SCHEMBL3190585 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EKDM5AKDM4CKDM5B
SCHEMBL2272649 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EKDM5AKDM4CKDM5B
SCHEMBL29537730 0.87 KDM4E (0.53) ALDH1A1KDM4EKDM5AKDM4CKDM5B
SCHEMBL16094746 0.87 KDM4E (0.53) ALDH1A1KDM4EKDM5AKDM4CKDM5B
SCHEMBL16094684 0.85 KDM4E (0.52) ALDH1A1KDM4EKDM5AKDM4CKDM5B
SCHEMBL29537984 0.85 KDM4E (0.52) ALDH1A1KDM4EKDM5AKDM4CKDM5B
SCHEMBL16094569 0.85 KDM4E (0.52) ALDH1A1KDM4EKDM5AKDM4CKDM5B
SCHEMBL29537298 0.85 KDM4E (0.52) ALDH1A1KDM4EKDM5AKDM4CKDM5B
SCHEMBL6170594 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124428-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2024-04-18 — — US disclosed
EP-4263520-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2023-10-25 — — EP disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 — — US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 — — US disclosed
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 — — CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 — — EP disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 — — EP disclosed
US-20230157166-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-05-18 — — US disclosed
WO-2022133529-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2022-06-30 — — WO disclosed
WO-2022133529-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2022-06-30 — — WO disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 — — US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 — — US disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 — — US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 — — US disclosed
US-5582817-A ORGANOZINC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-12-10 — — US disclosed
EP-0433457-B1 ANTIPRURITIC COMPOSITION SHISEIDO CO LTD (JP) 1994-10-19 — — EP disclosed
EP-0583479-A1 REMEDY FOR DERMATOPATHY AND METALLOTHIONEIN INDUCER OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-02-23 — — EP disclosed
US-5219847-A Antipruritic composition SHISEIDO COMPANY, LTD. (JP) 1993-06-15 — — US disclosed
EP-0433457-A1 ANTIPRURITIC COMPOSITION SHISEIDO COMPANY LIMITED (JP) 1991-06-26 — — 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 (6 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 ALDH1A1 1859/4885KDM4E 1096/4885KDM5A 1862/4885
US-20240124428-A1 HETEROCYCLIC INHIBITORS OF PCSK9 PCSK9, PCSK7, PCSK6 ALDH1A1 3487/4885KDM4E 3354/4885KDM5A 3646/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ALDH1A1 1874/4885KDM4E 698/4885KDM5A 552/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 ALDH1A1 2061/4885KDM4E 1154/4885KDM5A 1858/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 ALDH1A1 3910/4885KDM4E 1947/4885KDM5A 1903/4885
US-20230157166-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT OR10J3, OR51E2, OLA1 ALDH1A1 210/4885KDM4E 3180/4885KDM5A 3917/4885

“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.