SCHEMBL1965852

SCHEMBL1965852

Clc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.78
ALOX5 P09917 5/20 0.71
ALDH1A1 P00352 4/20 0.69
GAA P10253 3/20 0.69
KDM4E B2RXH2 3/20 0.69
GFER P55789 2/20 0.69
MAPT P10636 2/20 0.69
HPGD P15428 1/20 0.69
BRD4 O60885 1/20 0.67
TRIM33 Q9UPN9 3/20 0.66
ROCK2 O75116 1/20 0.65
PIM1 P11309 1/20 0.65
GSK3B P49841 1/20 0.65
AURKB Q96GD4 1/20 0.65
MAPK1 P28482 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TRIM24 O15164 2/20 0.59
SALL4 Q9UJQ4 1/20 0.58
BACE1 P56817 1/20 0.58

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
SCHEMBL1965351 0.99 ADORA1 (0.76) ADORA1ALOX5ALDH1A1GAAKDM4E
SCHEMBL7975156 0.90 ADORA1 (0.81) ADORA1ALOX5ALDH1A1GAAKDM4E
SCHEMBL2986663 0.89 ADORA1 (0.79) ADORA1ALOX5ALDH1A1GAAKDM4E
SCHEMBL1965930 0.88 ADORA1 (0.78) ADORA1ALOX5ALDH1A1GAAKDM4E
SCHEMBL2977991 0.88 ADORA1 (1.00) ADORA1ALOX5ALDH1A1GAAKDM4E
SCHEMBL1967978 0.88 ADORA1 (0.78) ADORA1ALOX5ALDH1A1GAAKDM4E
SCHEMBL15152601 0.88 ADORA1 (0.78) ADORA1ALOX5ALDH1A1GAAKDM4E
SCHEMBL1966194 0.87 TRPA1 (0.67) ADORA1ALOX5ALDH1A1GAAKDM4E
SCHEMBL1965379 0.86 ADORA1 (0.76) ADORA1ALOX5ALDH1A1GAAKDM4E
SCHEMBL2977837 0.86 ADORA1 (0.76) ADORA1ALOX5ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334675-B1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2014-03-26 EP disclosed
US-8501767-B2 Imidazopyridines and imidazopyrimidines as HIV-1 reverse transcriptase inhibitors CSIR (ZA) 2013-08-06 US disclosed
US-8501767-B2 Imidazopyridines and imidazopyrimidines as HIV-1 reverse transcriptase inhibitors CSIR (ZA) 2013-08-06 US disclosed
US-8501767-B2 Imidazopyridines and imidazopyrimidines as HIV-1 reverse transcriptase inhibitors CSIR (ZA) 2013-08-06 US disclosed
US-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-12-22 US disclosed
US-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-12-22 US disclosed
US-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-12-22 US disclosed
EP-2334675-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-06-22 EP disclosed
WO-2010032195-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2010-03-25 WO disclosed
WO-2010032195-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2010-03-25 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-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS TYMP, IMPDH1, DPYD ADORA1 1122/4885ALOX5 3673/4885ALDH1A1 203/4885

“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.