SCHEMBL9007002

SCHEMBL9007002

CNCc1[nH]c(=O)[nH]c(=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 14/20 0.43
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31
ATAD2 Q6PL18 1/20 0.30

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
SCHEMBL3046373 0.78 TYMP (0.59) TYMP
SCHEMBL30132270 0.74 TYMP (0.52) TYMPALDH1A1L3MBTL1ALOX15ATAD2
SCHEMBL6570508 0.74 TYMP (0.46) TYMPL3MBTL1ALOX15ATAD2
SCHEMBL14709896 0.72 TYMP (0.47) TYMPKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL7074796 0.69 TYMP (0.42) TYMPKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL4315838 0.68 KDM4E (0.43) TYMPKDM4EL3MBTL1
SCHEMBL14478237 0.68 TYMP (0.45) TYMPKDM4EL3MBTL1
SCHEMBL16315851 0.67 TYMP (0.39) TYMPALDH1A1
SCHEMBL1182629 0.66 POLB (0.45) TYMPALDH1A1KMT2A
SCHEMBL9006882 0.66 ALOX15 (0.67) TYMPKDM4EALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868722-B2 Monocyclic pyrimidine/pyridine compounds as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-01-16 US disclosed
US-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-10-20 US disclosed
US-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-10-20 US disclosed
EP-3080101-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX Cleave Biosciences, Inc. (US) 2016-10-19 EP disclosed
WO-2015089218-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX WUSTROW DAVID (US) 2015-06-18 WO disclosed
WO-2015089218-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX WUSTROW DAVID (US) 2015-06-18 WO disclosed
US-8188105-B2 Therapeutic agent for inflammatory bowel disease comprising uracil derivative as active ingredient TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 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 (1 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-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX PSMG3, PSMD2, PSME1 TYMP 876/4885KDM4E 2933/4885ALDH1A1 2684/4885

“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.