Sugi Predict

Sugi Predict / Compounds / SCHEMBL15640887

SCHEMBL15640887

SCHEMBL15640887

CN(C(=O)O)c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ PBRM1 Q86U86 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ DDX3X O00571 1/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ CLK1 P49759 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL2020210 0.85 SIGMAR1 (0.47) SIGMAR1CYP3A4CASP1RECQLPBRM1
SCHEMBL8884787 0.85 SIGMAR1 (0.50) SIGMAR1CYP3A4CASP1RECQLPBRM1
SCHEMBL13698361 0.81 ATM (0.50) SIGMAR1PBRM1CLK1NPC1MITF
SCHEMBL1937633 0.80 SIGMAR1 (0.43) SIGMAR1CYP3A4CASP1RECQLPBRM1
SCHEMBL3204876 0.80 SIGMAR1 (0.43) SIGMAR1CYP3A4CASP1RECQLPBRM1
SCHEMBL3222780 0.80 SIGMAR1 (0.43) SIGMAR1CYP3A4CASP1RECQLPBRM1
SCHEMBL14267705 0.79 SIGMAR1 (0.43) SIGMAR1CYP3A4CASP1RECQLPBRM1
SCHEMBL4488744 0.79 SIGMAR1 (0.43) SIGMAR1CYP3A4CASP1RECQLPBRM1
SCHEMBL15974825 0.79 BTK (0.46) SIGMAR1PBRM1ALDH1A1NPSR1DDX3X
SCHEMBL14621860 0.79 SIGMAR1 (0.43) SIGMAR1CYP3A4CASP1RECQLPBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106065178-B A kind of compression mold device of desulfurization flyash energy-conserving and environment-protective construction wall packing material and its preparation method of packing material 徐州工程学院 2018-03-23 — — CN claimed
US-20240182476-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2024-06-06 — — US disclosed
US-11845723-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2023-12-19 — — US disclosed
US-20230080054-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-03-16 — — US disclosed
US-20230055040-A1 Synthesis Of Benzodiazepine Derivatives TRIO MEDICINES LIMITED (GB) 2023-02-23 — — US disclosed
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2023-01-26 — — US disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 — — US disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 — — WO disclosed
EP-3331865-B1 SYNTHESIS OF BENZODIAZEPINE DERIVATIVES TRIO MEDICINES LTD (GB) 2021-05-12 — — EP disclosed
WO-2021062327-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LIMITED (IN) 2021-04-01 — — WO disclosed
WO-2016020698-A1 BENZODIAZEPINE DERIVATIVES AS CCK2/GASTRIN RECEPTOR ANTAGONISTS TRIO MEDICINES LIMITED (GB) 2016-02-11 — — WO disclosed
EP-2935226-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2015-10-28 — — EP disclosed
US-9126950-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-08 — — US disclosed
EP-2399921-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-12 — — EP disclosed
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 — — US disclosed
WO-2014100748-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 — — WO disclosed
US-8697874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 — — US disclosed
EP-2399921-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-12-28 — — EP disclosed
CN-100348196-C Benzotriaza * as gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2007-11-14 — — CN disclosed
CN-1585643-A Benzotriazepines as gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2005-02-23 — — 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK SIGMAR1 3518/4885CYP3A4 4334/4885CASP1 3252/4885
US-20230080054-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ANO1, ANO2, CACYBP SIGMAR1 4453/4885CYP3A4 4791/4885CASP1 3711/4885
US-11845723-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK SIGMAR1 3518/4885CYP3A4 4334/4885CASP1 3252/4885
US-20240182476-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK SIGMAR1 3518/4885CYP3A4 4334/4885CASP1 3252/4885
US-20230055040-A1 Synthesis Of Benzodiazepine Derivatives GABRE, GABRA1, GABRA5 SIGMAR1 76/4885CYP3A4 47/4885CASP1 2332/4885
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SIGMAR1 545/4885CYP3A4 6/4885CASP1 3914/4885
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, TYMP, TYMS SIGMAR1 4325/4885CYP3A4 201/4885CASP1 2302/4885

“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.