SCHEMBL6468783

SCHEMBL6468783

Brc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccc(Br)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.80
MAPK14 Q16539 7/20 0.61
MAPK13 O15264 6/20 0.61
GCGR P47871 6/20 0.61
MAPK12 P53778 6/20 0.61
MAPK11 Q15759 6/20 0.61
MAPT P10636 7/20 0.54
TP53 P04637 2/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 2/20 0.54
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
GPR84 Q9NQS5 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MGAM O43451 1/20 0.46

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
SCHEMBL12561674 0.89 NT5E (1.00) NT5EMAPK14MAPK13GCGRMAPK12
SCHEMBL15093318 0.89 NT5E (0.94) NT5EMAPK14MAPK13GCGRMAPK12
SCHEMBL12561664 0.87 NT5E (0.69) NT5EMAPK14MAPK13GCGRMAPK12
SCHEMBL15093219 0.86 NT5E (0.80) NT5EMAPK14MAPK13GCGRMAPK12
SCHEMBL12561601 0.86 NT5E (0.60) NT5EMAPK14MAPK13GCGRMAPK12
SCHEMBL12561660 0.85 NT5E (0.73) NT5EMAPK14MAPK13GCGRMAPK12
SCHEMBL12561673 0.85 NT5E (0.73) NT5EMAPK14MAPK13GCGRMAPK12
SCHEMBL17366627 0.84 NT5E (0.85) NT5EMAPK14MAPK13GCGRMAPK12
SCHEMBL12316837 0.84 NT5E (0.68) NT5EMAPK14MAPK13GCGRMAPK12
SCHEMBL12561653 0.84 NT5E (0.85) NT5EMAPK14MAPK13GCGRMAPK12

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-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 US claimed
EP-1532118-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Axxima Pharmaceuticals Aktiengesellschaft (DE) 2005-05-25 EP claimed
WO-2004005264-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-01-15 WO claimed
US-20240000821-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER UNIV JOHNS HOPKINS (US) 2024-01-04 US disclosed
US-20200078387-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER THE JOHNS HOPKINS UNIVERSITY 2020-03-12 US disclosed
WO-2018112342-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2018-06-21 WO disclosed
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 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-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections CSNK1G1, CSNK1E, CSNK1D NT5E 4016/4885MAPK14 662/4885MAPK13 456/4885

“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.