SCHEMBL16796162

SCHEMBL16796162

COCc1cnc(O)nc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 4/20 0.37
PRKCE Q02156 3/20 0.37
MYLK Q15746 2/20 0.37
MEN1 O00255 1/20 0.37
PRKCG P05129 1/20 0.37
MAPT P10636 1/20 0.37
PRKCA P17252 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 3/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL10967957 0.81 LMNA (0.43) LMNAALDH1A1PRKCEMYLKMEN1
SCHEMBL14048734 0.77 DHFR (0.38) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL5038760 0.74 KDM4E (0.41) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL29638205 0.74 KDM4E (0.41) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL29638209 0.74 KDM4E (0.41) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL6218700 0.73 AURKA (0.41)
SCHEMBL30891087 0.72 PDXK (0.31)
SCHEMBL16796089 0.72 PDXK (0.31)
SCHEMBL27141621 0.72 TYR (0.30)
SCHEMBL6673049 0.72

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 6 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

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 LMNA 1706/4885ALDH1A1 2684/4885PRKCE 3602/4885

“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.