SCHEMBL1546077

SCHEMBL1546077

Cn1c(N)c(N=O)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.52
TPI1 P60174 1/20 0.52
CASP6 P55212 2/20 0.47
EPHX2 P34913 1/20 0.46
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
GFER P55789 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
CHRNB2 P17787 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1E P28566 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL1945866 0.77 MAPT (0.61) ALDH1A1KMT2AMAPTSMN1; SMN2GLA
SCHEMBL1546582 0.76 MAPT (0.59) CDK1TPI1CDK4CDK2ALDH1A1
SCHEMBL1945572 0.76 CDK1 (0.38) CDK1TPI1CASP6CDK4CDK2
SCHEMBL1947204 0.74 MAPT (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2GLA
SCHEMBL1546631 0.74 EPHX2 (0.52) CDK1TPI1EPHX2GFERALDH1A1
SCHEMBL1947363 0.73 CDK1 (0.39) CDK1TPI1CASP6CDK4CDK2
SCHEMBL1712992 0.73 MAPT (0.57) ALDH1A1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL1945858 0.73 MEN1 (0.51) ALDH1A1KMT2AMAPTSMN1; SMN2GLA
SCHEMBL15667389 0.72 EPHX2 (0.50) CDK1TPI1EPHX2GFERALDH1A1
SCHEMBL1946777 0.72 ALDH1A1 (0.50) CDK1TPI1CASP6EPHX2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107987028-B Preparation method of drug intermediate for treating type II diabetes 张吉新 2018-12-18 CN claimed
CN-107987028-A Preparation method of drug intermediate for treating type II diabetes 陈洪芳 2018-05-04 CN claimed
CN-111574463-B Rivastigmine intermediate compound IV 鲁南制药集团股份有限公司 2023-07-14 CN disclosed
CN-111574520-B Riagliptin intermediate compound V 鲁南制药集团股份有限公司 2022-08-26 CN disclosed
CN-110997675-B Novel substituted xanthine derivatives 勃林格殷格翰国际公司 2022-06-07 CN disclosed
EP-3652176-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2021-12-15 EP disclosed
EP-3652176-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2021-12-15 EP disclosed
CN-111574520-A Riagliptin intermediate compound V 鲁南制药集团股份有限公司 2020-08-25 CN disclosed
CN-111574463-A Riagliptin intermediate compound IV 鲁南制药集团股份有限公司 2020-08-25 CN disclosed
EP-3652176-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2020-05-20 EP disclosed
CN-110997675-A Novel substituted xanthine derivatives 勃林格殷格翰国际公司 2020-04-10 CN disclosed
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 WO disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US disclosed
US-20040176399-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2004-09-09 US disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP disclosed
US-20040152027-A1 Toning agents for use in thermographic recording materials AGFA-GEVAERT (BE) 2004-08-05 US disclosed
EP-1435298-A2 Toning agents for use in thermographic and photothermographic recording materials Agfa-Gevaert (BE) 2004-07-07 EP disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 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 (3 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-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 CDK1 2989/4885TPI1 2941/4885CASP6 3479/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 CDK1 2989/4885TPI1 2941/4885CASP6 3479/4885
US-20040176399-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 CDK1 2394/4885TPI1 2383/4885CASP6 3717/4885

“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.