SCHEMBL1970282

SCHEMBL1970282

Clc1cccc(-c2nc3ccccn3c2NC2CCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.68
ADORA1 P30542 1/20 0.65
ROCK2 O75116 1/20 0.62
PIM1 P11309 1/20 0.62
GSK3B P49841 1/20 0.62
AURKB Q96GD4 1/20 0.62
GAA P10253 4/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
MAPK1 P28482 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ATM Q13315 1/20 0.59
TRIM33 Q9UPN9 3/20 0.58
ALOX5 P09917 2/20 0.58
KDM4E B2RXH2 3/20 0.57
GFER P55789 2/20 0.57
TP53 P04637 1/20 0.56
BRD4 O60885 1/20 0.56
HPGD P15428 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
SCHEMBL1966194 0.99 TRPA1 (0.67) TRPA1ADORA1ROCK2PIM1GSK3B
SCHEMBL1965351 0.87 ADORA1 (0.76) ADORA1ROCK2PIM1GSK3BAURKB
SCHEMBL2986663 0.86 ADORA1 (0.79) ADORA1ROCK2PIM1GSK3BAURKB
SCHEMBL15152581 0.86 ADORA1 (0.65) ADORA1ROCK2PIM1GSK3BAURKB
SCHEMBL1965852 0.86 ADORA1 (0.78) ADORA1ROCK2PIM1GSK3BAURKB
SCHEMBL7975156 0.85 ADORA1 (0.81) ADORA1ROCK2PIM1GSK3BAURKB
SCHEMBL15152586 0.85 ADORA1 (0.67) ADORA1ROCK2PIM1GSK3BAURKB
SCHEMBL12245455 0.84 ALOX5 (0.77) TRPA1ROCK2PIM1GSK3BAURKB
SCHEMBL1970821 0.83 ADORA1 (0.64) ADORA1ROCK2PIM1GSK3BAURKB
SCHEMBL1968110 0.83 ALDH1A1 (0.58) TRPA1ADORA1ROCK2PIM1GSK3B

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 12 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
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 TRPA1 4670/4885ADORA1 1122/4885ROCK2 2486/4885

“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.