SCHEMBL6932734

SCHEMBL6932734

Nc1cccnc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
SHMT2 P34897 1/20 0.45
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44

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
SCHEMBL25895556 0.83 NAPRT (0.39) KDM4EMAPTCYP1A2SHMT2NAPRT
SCHEMBL15942046 0.82 ADORA3 (0.49) KDM4EMAPTCYP1A2TDP1ALDH1A1
SCHEMBL18989971 0.81 SHMT2 (0.50) KDM4EMAPTCYP1A2SHMT2NAPRT
SCHEMBL15709787 0.79 ALDH1A1 (0.44) KDM4EMAPTSHMT2ALDH1A1L3MBTL1
SCHEMBL21437758 0.78 ALDH1A1 (0.59) KDM4EMAPTCYP1A2NAPRTTDP1
SCHEMBL11147053 0.78 KDM4E (0.65) KDM4EMAPTCYP1A2NAPRTTDP1
SCHEMBL30546480 0.77 AKR1B1 (0.52) KDM4EMAPTCYP1A2NAPRTTDP1
SCHEMBL2782918 0.77 KDM4E (0.62) KDM4EMAPTCYP1A2NAPRTTDP1
SCHEMBL29781414 0.77 KDM4E (0.49) KDM4EMAPTCYP1A2NAPRTTDP1
SCHEMBL3611719 0.77 AKR1B1 (0.52) KDM4EMAPTCYP1A2NAPRTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534613-A Preparation method of 3-aminopyridine-2-carboxylic acid methyl ester 武威广达科技有限公司 2024-02-09 CN claimed
CN-117126084-A Process for the preparation of cyclosulfones 安徽久易农业股份有限公司 2023-11-28 CN claimed
CN-117534613-A Preparation method of 3-aminopyridine-2-carboxylic acid methyl ester 武威广达科技有限公司 2024-02-09 CN disclosed
CN-117126084-A Process for the preparation of cyclosulfones 安徽久易农业股份有限公司 2023-11-28 CN disclosed
US-20160159808-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
EP-3026051-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-01 EP disclosed
CN-103153997-B Quinazoline derivatives MERCK PATENT GMBH 2015-04-29 CN disclosed
CN-104395297-A Sulfonamide derivatives and pharmaceutical use thereof AJINOMOTO KK 2015-03-04 CN disclosed
CN-103153997-A Quinazoline derivatives MERCK PATENT GMBH 2013-06-12 CN disclosed
CN-102099351-A 3-heterocyclic substituted indole derivatives and methods of use thereof SCHERING CORP 2011-06-15 CN disclosed
CN-1902201-A Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) MERCK SHARP & DOHME (GB) 2007-01-24 CN disclosed
US-20030225131-A1 Thrombin inhibitors BURGEY CHRISTOPHER S (US) 2003-12-04 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 (2 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-20030225131-A1 Thrombin inhibitors TFPI, SERPINC1, PLAT KDM4E 2998/4885MAPT 3769/4885CYP1A2 3346/4885
US-20160159808-A1 HETEROCYCLIC COMPOUND PDE2A, PDE3A, PDE5A KDM4E 1323/4885MAPT 501/4885CYP1A2 200/4885

“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.