SCHEMBL1970254

SCHEMBL1970254

CCOc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
GAA P10253 4/20 0.67
KDM4E B2RXH2 3/20 0.67
HPGD P15428 3/20 0.67
HSD17B10 Q99714 3/20 0.67
CASP1 P29466 2/20 0.67
MAPT P10636 2/20 0.67
MAPK1 P28482 2/20 0.67
ADORA1 P30542 1/20 0.62
BACE1 P56817 2/20 0.58
ROCK2 O75116 1/20 0.58
PIM1 P11309 1/20 0.58
GSK3B P49841 1/20 0.58
AURKB Q96GD4 1/20 0.58
SALL4 Q9UJQ4 1/20 0.57
ATM Q13315 1/20 0.56
TRIM33 Q9UPN9 4/20 0.56
HTT P42858 2/20 0.55
RCE1 Q9Y256 1/20 0.55
BRD4 O60885 1/20 0.55

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
SCHEMBL15172136 0.89 ADORA1 (0.66) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL15152607 0.83 ADORA1 (0.66) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL1968551 0.82 ALOX5 (0.73) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL1970873 0.81 ADORA1 (0.65) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL1965930 0.79 ADORA1 (0.78) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL2977837 0.78 ADORA1 (0.76) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL2977991 0.77 ADORA1 (1.00) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL7975156 0.77 ADORA1 (0.81) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL1969528 0.77 ADORA1 (0.77) ALDH1A1GAAKDM4EMAPTMAPK1
SCHEMBL20889551 0.76 GAA (0.66) ALDH1A1GAAKDM4EHPGDHSD17B10

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-8501767-B2 Imidazopyridines and imidazopyrimidines as HIV-1 reverse transcriptase inhibitors CSIR (ZA) 2013-08-06 US claimed
US-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-12-22 US claimed
EP-2334675-B1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2014-03-26 EP disclosed
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 ALDH1A1 203/4885GAA 441/4885KDM4E 1975/4885

“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.