SCHEMBL10105029

SCHEMBL10105029

Cc1nn(C)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIK5 Q16478 1/20 0.42
SQOR Q9Y6N5 1/20 0.41
PARP1 P09874 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DAO P14920 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16918351 0.77 SMN1; SMN2 (0.53) PARP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15563493 0.74 DAO (0.38) GRIA1GRIA2GRIA4GRIK5SQOR
SCHEMBL12603804 0.74 SQOR (0.42) GRIA1GRIA2GRIA4GRIK5SQOR
SCHEMBL12702610 0.74 DAO (0.38) DAOATM
SCHEMBL16131591 0.74 GRIA1 (0.41) GRIA1GRIA2GRIA4GRIK5DAO
SCHEMBL24419029 0.74 DAO (0.38) GRIA1GRIA2GRIA4GRIK5KDM4E
SCHEMBL13708317 0.74 GRIA1 (0.41) GRIA1GRIA2GRIA4GRIK5DAO
SCHEMBL12724276 0.73 GRIA1 (0.56) GRIA1GRIA2GRIA4GRIK5SQOR
SCHEMBL12621284 0.71 PARP1 (0.45) GRIA1GRIA2GRIA4GRIK5SQOR
SCHEMBL22743704 0.71 ATM (0.46) KDM4EDAOATML3MBTL1

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
EP-4159723-A1 NOVEL THYROID HORMONE ß RECEPTOR AGONIST Chengdu Kanghong Pharmaceutical Co., Ltd. (CN) 2023-04-05 EP disclosed
WO-2020239076-A1 PYRIDAZINONE DERIVATIVES AS THYROXINE RECEPTOR-Β AGONISTS AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-12-03 WO disclosed
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 EP disclosed
EP-2265626-B1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE LCB PHARMA INC (CA) 2019-05-15 EP disclosed
US-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9675632-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-8846636-B2 Nucleoside analogues with quaternary carbon stereogenic centers and methods of use LCB PHARMA INC. (CA) 2014-09-30 US disclosed
US-8163707-B2 4′-allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2011-04-21 US disclosed
US-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-03-25 US disclosed
WO-2009115927-A2 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2009-09-24 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 (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-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES CCNI, CCNA1, CDK1 GRIA1 4263/4885GRIA2 4598/4885GRIA4 4490/4885
US-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE NUDT1, NT5C3B, NTPCR GRIA1 3390/4885GRIA2 4085/4885GRIA4 3933/4885

“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.