SCHEMBL5009904

SCHEMBL5009904

Cc1cc(C)c(C(N)=O)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 5/20 0.62
SIRT3 Q9NTG7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
UHRF1 Q96T88 1/20 0.48

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
SCHEMBL30197143 1.00 NNMT (0.62) NNMTSIRT3TDP1GABRPGABRD
Hydrochloric Acid SCHEMBL5010724 0.98 NNMT (0.61) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL8626851 0.82 NNMT (0.47) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL1436086 0.81 GABRP (0.66) NNMTTDP1GABRPGABRDGABRA1
SCHEMBL6627726 0.81 CYP1A2 (0.47) NNMTTDP1GABRPGABRDGABRA1
SCHEMBL31043801 0.81 GABRP (0.66) NNMTTDP1GABRPGABRDGABRA1
SCHEMBL23672380 0.80 NNMT (0.46) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL5878762 0.80 NNMT (0.62) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL22291660 0.80 NNMT (0.59) NNMTSIRT3TDP1GABRPGABRD
SCHEMBL1536039 0.80 NNMT (0.59) NNMTSIRT3TDP1GABRPGABRD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS SUDO BIOSCIENCES LIMITED (GB) 2023-08-03 US disclosed
US-20230183264-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2023-06-15 US disclosed
US-20230174553-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2023-06-08 US disclosed
CN-115636781-A Synthesis method of 2, 4-dimethyl-5-aminopyridine 山西永津集团有限公司 2023-01-24 CN disclosed
WO-2020160192-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US 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-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS TYK2, PDXK, JAK1 NNMT 838/4885SIRT3 1871/4885TDP1 276/4885
US-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 NNMT 2170/4885SIRT3 4269/4885TDP1 1520/4885
US-20230174553-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NNMT 760/4885SIRT3 1020/4885TDP1 211/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NNMT 2977/4885SIRT3 674/4885TDP1 2797/4885
US-20230183264-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NNMT 760/4885SIRT3 1020/4885TDP1 211/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 NNMT 2170/4885SIRT3 4269/4885TDP1 1520/4885

“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.