SCHEMBL477197

SCHEMBL477197

CS(=O)(=O)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NEK2 P51955 1/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
IKBKB O14920 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 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
SCHEMBL5013 1.00 KDM4E (0.52) KDM4EMAPTALDH1A1NEK2KMT2A
Potassium SCHEMBL30601760 0.97 KDM4E (0.50) KDM4EMAPTALDH1A1NEK2KMT2A
SCHEMBL8742086 0.97 KDM4E (0.50) KDM4EMAPTALDH1A1NEK2KMT2A
Piperazine SCHEMBL28080505 0.97 KDM4E (0.50) KDM4EMAPTALDH1A1NEK2KMT2A
Hydrochloric Acid SCHEMBL311054 0.97 KDM4E (0.50) KDM4EMAPTALDH1A1NEK2KMT2A
SCHEMBL92545 0.91 KDM4E (0.56) KDM4EMAPTALDH1A1NEK2KMT2A
Piperidine SCHEMBL28145582 0.91 KDM4E (0.56) KDM4EMAPTALDH1A1NEK2KMT2A
Methylene Chloride SCHEMBL16447276 0.91 KDM4E (0.45) KDM4EMAPTALDH1A1NEK2KMT2A
Hydrochloric Acid SCHEMBL189869 0.89 KDM4E (0.54) KDM4EMAPTALDH1A1KMT2ALMNA
SCHEMBL21040872 0.89 KDM4E (0.54) KDM4EMAPTALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794923-A Benzodioxane compound, and preparation method and application thereof 南京红云生物科技有限公司 2024-03-29 CN claimed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US claimed
EP-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP claimed
EP-4236937-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP claimed
US-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-07-06 US claimed
EP-4166553-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-04-19 EP claimed
CN-115916759-A Substituted quinazoline compound, preparation method, pharmaceutical composition and application thereof 南京红云生物科技有限公司 2023-04-04 CN claimed
WO-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 WO claimed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 CN claimed
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE Anhui Newstar Pharmaceutical Development Co., Ltd. (CN) 2022-09-08 US claimed
EP-3424929-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd (CN) 2019-01-09 EP claimed
US-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF XIAMEN UNIVERSITY (CN) 2018-11-01 US claimed
EP-3290420-A1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Xiamen University (CN) 2018-03-07 EP claimed
EP-3152210-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-04-12 EP claimed
CN-106188060-A Pyrimido azoles, its preparation method, Pharmaceutical composition and application thereof 厦门大学 2016-12-07 CN claimed
CN-105503837-A Substitute quinazolines derivative with Aurora kinase inhibitory activity and application thereof UNIV SUN YAT SEN 2016-04-20 CN claimed
WO-2015187684-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-10 WO claimed
EP-1458393-B1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-25 EP claimed
EP-1102789-A1 MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2001-05-30 EP claimed
WO-2000008046-A1 MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2000-02-17 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, EGFR, WEE2 KDM4E 3419/4885MAPT 2939/4885ALDH1A1 1742/4885
US-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF TPMT, DHPS, TYMP KDM4E 1889/4885MAPT 3771/4885ALDH1A1 364/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 KDM4E 3671/4885MAPT 2177/4885ALDH1A1 3822/4885
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R KDM4E 4200/4885MAPT 1263/4885ALDH1A1 3469/4885

“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.