SCHEMBL4134213

SCHEMBL4134213

CC(C)(C)CNc1nc(Cl)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NUDT1 P36639 3/20 0.44
MAPK8 P45983 4/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
STK17B O94768 2/20 0.36
STK17A Q9UEE5 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CDK1 P06493 2/20 0.34
CDK2 P24941 2/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL30718893 1.00 MEN1 (0.46) MEN1KMT2ANUDT1MAPK8MAPK9
SCHEMBL1938007 0.83 STK17A (0.50) MEN1KMT2ANUDT1MAPK8STK17B
SCHEMBL13897499 0.81 MEN1 (0.52) MEN1KMT2ASTK17BSTK17AALDH1A1
SCHEMBL13649070 0.81 KMT2A (0.41) MEN1KMT2ASTK17BSTK17AALDH1A1
SCHEMBL4137651 0.80 NUDT1 (0.51) MEN1KMT2ANUDT1MAPK8MAPK9
SCHEMBL5436631 0.79 NUDT1 (0.43) MEN1KMT2ANUDT1MAPK8STK17B
SCHEMBL13649041 0.78 KMT2A (0.39) MEN1KMT2ASTK17BSTK17AALDH1A1
SCHEMBL3447092 0.78 KMT2A (0.50) MEN1KMT2ASTK17BSTK17AALDH1A1
SCHEMBL5786509 0.78 NUDT1 (0.45) MEN1KMT2ANUDT1MAPK8MAPK9
SCHEMBL5789412 0.78 NUDT1 (0.42) MEN1KMT2ANUDT1MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-06-25 US disclosed
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-06-25 US disclosed
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-06-25 US disclosed
CN-111808080-B Substituted pyridine or pyrimidine compound, preparation method and medical application thereof 四川科伦博泰生物医药股份有限公司 2024-03-08 CN disclosed
CN-112469719-B Heterocondensed pyridone compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2024-01-23 CN disclosed
EP-3797107-B1 HETEROCONDENSED PYRIDONE COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2022-08-10 EP disclosed
US-20210206759-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-07-08 US disclosed
EP-3797107-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2021-03-31 EP disclosed
CN-112469719-A Heterocondensed pyridone compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2021-03-09 CN disclosed
CN-111808080-A Substituted pyridine or pyrimidine compound, preparation method thereof and application thereof in medicine 四川科伦博泰生物医药股份有限公司 2020-10-23 CN disclosed
US-7112589-B2 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2006-09-26 US disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases ALTMANN EVA 2006-04-06 US disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2004-12-09 US disclosed
EP-1423121-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES Novartis AG (CH) 2004-06-02 EP disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 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 (5 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ MEN1 4225/4885KMT2A 4486/4885NUDT1 218/4885
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors IDH1, IDH2, IDH3A MEN1 1149/4885KMT2A 506/4885NUDT1 926/4885
US-20210206759-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS IDH1, IDH2, IDH3A MEN1 1149/4885KMT2A 506/4885NUDT1 926/4885
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ MEN1 4491/4885KMT2A 2879/4885NUDT1 1614/4885
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ MEN1 4645/4885KMT2A 2709/4885NUDT1 1583/4885

“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.