SCHEMBL6694829

SCHEMBL6694829

Cc1[nH]c(=O)[nH]c(=O)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 7/20 0.48
GAA P10253 3/20 0.43
HPGD P15428 5/20 0.42
UPP1 Q16831 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
IDO1 P14902 4/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 2/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
POLB P06746 1/20 0.39
DPYD Q12882 1/20 0.38

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
SCHEMBL9640578 0.78 POLB (0.56) KDM4EATMALDH1A1GAAHPGD
SCHEMBL3797196 0.73 KDM4E (0.68) KDM4EATMALDH1A1GAAHPGD
SCHEMBL475086 0.73 KDM4E (0.46) KDM4EATMALDH1A1GAAHPGD
SCHEMBL10371514 0.73 TYMP (0.46) KDM4EATMALDH1A1GAAHPGD
SCHEMBL9640574 0.72 GAA (0.47) KDM4EATMALDH1A1GAAHPGD
SCHEMBL6571699 0.68 KDM4E (0.39) KDM4EATMALDH1A1HPGDIDO1
SCHEMBL8156264 0.68 JAK2 (0.52) KDM4EATMALDH1A1HPGDGLA
SCHEMBL1694758 0.68 KDM4E (0.61) KDM4EATMALDH1A1GAAHPGD
SCHEMBL16398184 0.68 KDM4E (0.61) KDM4EATMALDH1A1GAAHPGD
SCHEMBL9820198 0.68 ATM (1.00) KDM4EATMALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526199-B1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2022-04-13 EP disclosed
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 US disclosed
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 US disclosed
CN-109952292-A α -amino- β -carboxyadipimic acid semialdehyde decarboxylating enzyme inhibitor TES制药有限责任公司 2019-06-28 CN disclosed
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 US disclosed
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 US disclosed
WO-2018069532-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-04-19 WO disclosed
US-6835726-B2 Pyrimidine derivatives AMGEN INC. 2004-12-28 US disclosed
US-20040006068-A1 Pyrimidine derivatives TULARIK INC. 2004-01-08 US disclosed
WO-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
EP-1056742-B1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC (US) 2003-07-23 EP disclosed
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 US disclosed
US-6528513-B2 Viricides; especially cytomegalo virus TULARIK INC 2003-03-04 US disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 WO disclosed
US-20010018436-A1 Pyrimidine derivatives TULARIK INC. 2001-08-30 US disclosed
US-6200977-B1 USEFUL IN TREATING AND SUPPRESSING HUMAN CYTOMEGALOVIRUS TULARIK INC. 2001-03-13 US disclosed
EP-1056742-A1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK, INC. (US) 2000-12-06 EP disclosed
WO-1999041253-A1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC. (US) 1999-08-19 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-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 KDM4E 1947/4885ATM 3318/4885ALDH1A1 2001/4885
US-20010018436-A1 Pyrimidine derivatives TYMP, TYMS, UMPS KDM4E 2819/4885ATM 2349/4885ALDH1A1 2587/4885
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 KDM4E 1110/4885ATM 1402/4885ALDH1A1 171/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 KDM4E 1110/4885ATM 1402/4885ALDH1A1 171/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS KDM4E 2819/4885ATM 2349/4885ALDH1A1 2587/4885

“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.