SCHEMBL8720542

SCHEMBL8720542

Cc1nc2[nH]c(=O)[nH]c(=O)c2nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
BLM P54132 4/20 0.53
TDP1 Q9NUW8 4/20 0.53
CASP7 P55210 2/20 0.53
CYP1A2 P05177 2/20 0.53
HSD17B10 Q99714 2/20 0.53
PABPC1 P11940 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
PMP22 Q01453 1/20 0.53
MAPT P10636 6/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PKM P14618 2/20 0.50
LMNA P02545 1/20 0.50
CASP6 P55212 2/20 0.42

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
SCHEMBL31214551 0.81 MAPT (0.62) KDM4EALDH1A1BLMTDP1CASP7
SCHEMBL7833902 0.76 KDM4E (0.55) KDM4EALDH1A1BLMTDP1CASP7
SCHEMBL3261597 0.75 KDM4E (0.46) KDM4EALDH1A1BLMTDP1CASP7
Lumichrome SCHEMBL29516827 0.75 BLM (0.64) KDM4EALDH1A1BLMTDP1CASP7
Lumichrome SCHEMBL194906 0.75 BLM (0.64) KDM4EALDH1A1BLMTDP1CASP7
Lumichrome SCHEMBL29861572 0.75 BLM (0.64) KDM4EALDH1A1BLMTDP1CASP7
SCHEMBL5309140 0.72 KDM4E (0.53) KDM4EALDH1A1BLMTDP1CASP7
SCHEMBL7822136 0.72 BLM (0.47) KDM4EALDH1A1BLMTDP1CASP7
SCHEMBL34472892 0.71 L3MBTL1 (0.39) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL4320247 0.70 KDM4E (0.57) KDM4EALDH1A1BLMTDP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226065-A1 ANTI-INFLAMMATORY COMPOSITIONS, METHODS AND USES THEREOF COMVITA LIMITED (NZ) 2023-07-20 US disclosed
US-20230226065-A1 ANTI-INFLAMMATORY COMPOSITIONS, METHODS AND USES THEREOF COMVITA LIMITED (NZ) 2023-07-20 US disclosed
WO-2022005308-A1 ANTI-INFLAMMATORY COMPOSITIONS, METHODS AND USES THEREOF COMVITA LIMITED (NZ) 2022-01-06 WO disclosed
WO-2021002763-A1 USE OF A COMPOSITION COMPRISING 3,6,7-TRIMETHYLLUMAZINE FOR PREVENTING, AMELIORATING OR TREATING MMP-9 ASSOCIATED CONDITIONS AND INFLAMMATION COMVITA LIMITED (NZ) 2021-01-07 WO disclosed
WO-2017099612-A1 MARKER COMPOUNDS OF LEPTOSPERMUM HONEYS AND METHODS OF ISOLATION AND ASSAYING THEREOF COMVITA LIMITED (NZ) 2017-06-15 WO disclosed
EP-0759927-B1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES US GOV HEALTH & HUMAN SERV (US) 1998-06-24 EP disclosed
US-5612468-A GENETIC ENGINEERING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-18 US disclosed
EP-0759927-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-05 EP disclosed
US-5525711-A MONOMERS FOR DNA AMPLIFICATION PROCEDURES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US disclosed
WO-1995031469-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-23 WO disclosed
EP-0071903-B1 DIGLYCIDYL PTERIDINE COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN DRUGS WITH A CYTOSTATIC ACTIVITY Henkel Kommanditgesellschaft auf Aktien (DE) 1985-08-28 EP disclosed
US-4463006-A ANTICANCER, ANTITUMOR AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-07-31 US disclosed
EP-0071903-A1 Diglycidyl pteridine compounds, method for their preparation and their use in drugs with a cytostatic activity Henkel Kommanditgesellschaft auf Aktien (DE) 1983-02-16 EP 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-20230226065-A1 ANTI-INFLAMMATORY COMPOSITIONS, METHODS AND USES THEREOF PTGES2, TPMT, PARK7 KDM4E 3316/4885ALDH1A1 2288/4885BLM 4430/4885

“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.