SCHEMBL852875

SCHEMBL852875

CC(=O)NC1CCC(NC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.41
EPHX2 P34913 2/20 0.41
KDM1A O60341 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
EPHX1 P07099 6/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ALOX15 P16050 1/20 0.39
FASN P49327 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL852876 1.00 ATM (0.48) ATMALDH1A1KDM4EPOLBEPHX2
Bicarbonate SCHEMBL11027352 0.90 ATM (0.52) ATMALDH1A1KDM4EPOLBEPHX2
SCHEMBL50350 0.89
SCHEMBL284318 0.89 ATM (0.56) ATMALDH1A1KDM4EPOLBEPHX2
SCHEMBL284319 0.89 ATM (0.56) ATMALDH1A1KDM4EPOLBEPHX2
SCHEMBL284342 0.89 ATM (0.56) ATMALDH1A1KDM4EPOLBEPHX2
Hydrochloric Acid SCHEMBL27752288 0.87
Water SCHEMBL27364290 0.87
SCHEMBL6658887 0.87 EPHX2 (0.50) ALDH1A1KDM4EPOLBEPHX2MMP2
SCHEMBL245467 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 EP disclosed
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-04-13 US disclosed
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2022-05-10 US disclosed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
US-20210114992-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-04-22 US disclosed
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2021-02-16 US disclosed
CN-111499580-A Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2020-08-07 CN disclosed
CN-111471021-A Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2020-07-31 CN disclosed
CN-105001165-B Substituted diaminopyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2020-06-23 CN disclosed
CN-104906100-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2015-09-16 CN disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2013-01-31 US disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 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 (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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ATM 1441/4885ALDH1A1 2864/4885KDM4E 1398/4885
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 ATM 4207/4885ALDH1A1 216/4885KDM4E 2880/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ATM 1441/4885ALDH1A1 2864/4885KDM4E 1398/4885
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 ATM 109/4885ALDH1A1 794/4885KDM4E 2133/4885
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 ATM 109/4885ALDH1A1 794/4885KDM4E 2133/4885
US-20210114992-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 ATM 109/4885ALDH1A1 794/4885KDM4E 2133/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B ATM 1441/4885ALDH1A1 2864/4885KDM4E 1398/4885
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 ATM 109/4885ALDH1A1 794/4885KDM4E 2133/4885
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 ATM 109/4885ALDH1A1 794/4885KDM4E 2133/4885

“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.