SCHEMBL2961095

SCHEMBL2961095

CC(C)(C)OC(=O)Nc1ccnc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 3/20 0.47
▸ HDAC4 P56524 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CYP17A1 P05093 3/20 0.43
▸ ATR Q13535 1/20 0.43
▸ MALT1 Q9UDY8 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ SCN10A Q9Y5Y9 2/20 0.42
▸ KDR P35968 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ AR P10275 1/20 0.40

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
SCHEMBL29529712 1.00 EGLN2 (0.47) EGLN2HDAC4HDAC6CYP17A1ATR
SCHEMBL24003976 0.92 SYK (0.48) EGLN2HDAC4HDAC6CYP17A1MALT1
SCHEMBL29675506 0.82 CYP17A1 (0.43) EGLN2CYP17A1ATRNAMPTMAP4K4
SCHEMBL19077885 0.82 CYP17A1 (0.43) EGLN2CYP17A1ATRNAMPTMAP4K4
SCHEMBL15774266 0.81 GSK3B (0.45) EGLN2CYP17A1KDRCA12CA1
SCHEMBL1501665 0.80 SMARCA2 (0.57) CYP17A1ATRCA12CA1CA9
SCHEMBL30293080 0.80 SMARCA2 (0.57) HDAC6CYP17A1ATRCA12CA1
SCHEMBL16055308 0.80 SMARCA2 (0.57) HDAC6CYP17A1ATRCA12CA1
SCHEMBL11615612 0.79 ALDH1A1 (0.48) EGLN2HDAC4HDAC6MALT1JAK2
SCHEMBL6452120 0.79 AR (0.59) EGLN2CYP17A1JAK2JAK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164961-A 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-06-11 — — CN disclosed
CN-111393414-B 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-05-07 — — CN disclosed
EP-3247707-B1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS USEFUL FOR THE TREATMENT OF CARDIAC DISORDERS SUCH AS DILATED CARDIOMYOPATHY (DCM) MYOKARDIA INC (US) 2023-05-31 — — EP disclosed
US-20220117955-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MyoKardia, Inc. 2022-04-21 — — US disclosed
US-11123337-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2021-09-21 — — US disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 — — WO disclosed
US-20200345716-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds MyoKardia, Inc. 2020-11-05 — — US disclosed
US-10758525-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2020-09-01 — — US disclosed
CN-111393414-A 4-methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2020-07-10 — — CN disclosed
US-20200113887-A9 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MyoKardia, Inc. 2020-04-16 — — US disclosed
WO-2016118774-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS FOR THE TREATMENT OF DILATED CARDIOMYOPATHY (DCM) MyoKardia, Inc. (US) 2016-07-28 — — WO disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 — — US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 — — US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 — — US disclosed
EP-1122242-B1 CYANOPHENYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-01-16 — — EP disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 — — US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 — — EP disclosed
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 — — US disclosed
US-6673799-B1 INHIBITS BINDING TO ANDROGEN RECEPTOR; ANTIANDROGEN YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-01-06 — — US disclosed
EP-1122242-A1 CYANOPHENYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-08-08 — — 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 (8 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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 EGLN2 237/4885HDAC4 119/4885HDAC6 417/4885
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 EGLN2 2794/4885HDAC4 987/4885HDAC6 623/4885
US-20200113887-A9 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS TNNI3, UMPS, TNNT2 EGLN2 624/4885HDAC4 196/4885HDAC6 1100/4885
US-20220117955-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS TNNI3, UMPS, TNNT2 EGLN2 624/4885HDAC4 196/4885HDAC6 1100/4885
US-10758525-B2 4-methylsulfonyl-substituted piperidine urea compounds TNNI3, UMPS, TNNT2 EGLN2 624/4885HDAC4 196/4885HDAC6 1100/4885
US-20200345716-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds TNNI3, UMPS, TNNT2 EGLN2 624/4885HDAC4 196/4885HDAC6 1100/4885
US-11123337-B2 4-methylsulfonyl-substituted piperidine urea compounds TNNI3, UMPS, TNNT2 EGLN2 624/4885HDAC4 196/4885HDAC6 1100/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 EGLN2 2794/4885HDAC4 987/4885HDAC6 623/4885

“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.

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