SCHEMBL514620

SCHEMBL514620

COC(=O)Nc1ccccc1C#N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.67
NLRP3 Q96P20 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 5/20 0.58
TSHR P16473 2/20 0.56
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
HPGD P15428 2/20 0.55
GLA P06280 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
ALOX15 P16050 1/20 0.49

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
SCHEMBL514619 0.84 NLRP3 (0.57) GAANLRP3L3MBTL1ALDH1A1KDM4E
SCHEMBL14861106 0.83 GAA (0.49) GAANLRP3L3MBTL1ALDH1A1KDM4E
SCHEMBL30914163 0.83 PDK1 (0.57) GAANLRP3L3MBTL1ALDH1A1KDM4E
SCHEMBL514811 0.83 NLRP3 (0.57) GAANLRP3L3MBTL1ALDH1A1KDM4E
SCHEMBL4771934 0.83 L3MBTL1 (0.61) GAANLRP3L3MBTL1ALDH1A1KDM4E
SCHEMBL4774446 0.83 PDK1 (0.57) GAANLRP3L3MBTL1ALDH1A1KDM4E
SCHEMBL4773228 0.83 NLRP3 (0.82) GAANLRP3L3MBTL1ALDH1A1KDM4E
SCHEMBL18415554 0.83 GAA (0.73) GAANLRP3L3MBTL1ALDH1A1KDM4E
SCHEMBL29769835 0.81 L3MBTL1 (0.63) GAANLRP3L3MBTL1ALDH1A1KDM4E
SCHEMBL1084996 0.81 L3MBTL1 (0.63) GAANLRP3L3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed
US-10294214-B2 Positive allosteric modulators of human melanocortin-4 receptor VANDERBILT UNIVERSITY (US) 2019-05-21 US disclosed
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-07 US disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
WO-2007117289-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-18 WO disclosed
CN-101014343-A Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORP (US) 2007-08-08 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORPORATION 2005-11-24 US disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 GAA 3982/4885NLRP3 1659/4885L3MBTL1 2575/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 GAA 4215/4885NLRP3 4182/4885L3MBTL1 118/4885
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof PARK7, GLS, IAPP GAA 116/4885NLRP3 547/4885L3MBTL1 2626/4885
US-10294214-B2 Positive allosteric modulators of human melanocortin-4 receptor MC4R, MC1R, MC3R GAA 4523/4885NLRP3 3855/4885L3MBTL1 2047/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R GAA 4523/4885NLRP3 3855/4885L3MBTL1 2047/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 GAA 3740/4885NLRP3 98/4885L3MBTL1 2991/4885

“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.