SCHEMBL1968551

SCHEMBL1968551

COc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.73
BACE1 P56817 3/20 0.71
ADORA1 P30542 1/20 0.69
ROCK2 O75116 1/20 0.64
PIM1 P11309 1/20 0.64
GSK3B P49841 1/20 0.64
AURKB Q96GD4 1/20 0.64
ATM Q13315 1/20 0.61
BRD4 O60885 1/20 0.60
TRIM33 Q9UPN9 3/20 0.59
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
KDM4E B2RXH2 2/20 0.56
GFER P55789 1/20 0.56
TRIM24 O15164 2/20 0.56
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 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
SCHEMBL15152607 0.91 ADORA1 (0.66) ALOX5BACE1ADORA1ROCK2PIM1
SCHEMBL15172136 0.91 ADORA1 (0.66) ALOX5BACE1ADORA1ROCK2PIM1
SCHEMBL1970873 0.88 ADORA1 (0.65) ALOX5BACE1ADORA1ROCK2PIM1
SCHEMBL1969528 0.86 ADORA1 (0.77) ALOX5BACE1ADORA1ROCK2PIM1
SCHEMBL1970254 0.82 ALDH1A1 (0.67) ALOX5BACE1ADORA1ROCK2PIM1
SCHEMBL2977991 0.82 ADORA1 (1.00) ALOX5ADORA1ROCK2PIM1GSK3B
SCHEMBL7975156 0.81 ADORA1 (0.81) ALOX5BACE1ADORA1ROCK2PIM1
SCHEMBL1970523 0.81 TLR9 (0.66) ALOX5BACE1ADORA1ROCK2PIM1
SCHEMBL2986663 0.80 ADORA1 (0.79) ALOX5BACE1ADORA1ROCK2PIM1
SCHEMBL20889442 0.80 ADORA1 (0.68) ALOX5BACE1ADORA1ROCK2PIM1

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 11 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
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 ALOX5 3673/4885BACE1 2906/4885ADORA1 1122/4885

“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.