SCHEMBL1967802

SCHEMBL1967802

Cc1ccsc1-c1nc2ccccn2c1NC1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
GAA P10253 4/20 0.65
KDM4E B2RXH2 4/20 0.65
GFER P55789 2/20 0.65
ADORA1 P30542 1/20 0.64
TRIM33 Q9UPN9 3/20 0.59
TRIM24 O15164 2/20 0.59
MAPT P10636 3/20 0.58
MAPK1 P28482 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
BRD4 O60885 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SALL4 Q9UJQ4 2/20 0.53
RAB9A P51151 1/20 0.53
ALOX5 P09917 3/20 0.52

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
SCHEMBL1966039 0.99 ALDH1A1 (0.67) ALDH1A1GAAKDM4EGFERADORA1
SCHEMBL6643063 0.85 ALDH1A1 (0.67) ALDH1A1GAAKDM4EGFERADORA1
SCHEMBL20889532 0.84 ALOX5 (0.64) ALDH1A1GAAKDM4EGFERADORA1
SCHEMBL15172138 0.81 ADORA1 (0.69) ALDH1A1GAAKDM4EGFERADORA1
SCHEMBL15172137 0.80 ADORA1 (0.71) ALDH1A1GAAKDM4EGFERADORA1
SCHEMBL2990394 0.79 ALDH1A1 (1.00) ALDH1A1GAAKDM4EGFERADORA1
SCHEMBL2986663 0.78 ADORA1 (0.79) ALDH1A1GAAKDM4EGFERADORA1
SCHEMBL2977991 0.78 ADORA1 (1.00) ALDH1A1GAAKDM4EGFERADORA1
SCHEMBL1968768 0.77 CREBBP (0.41) ALDH1A1GAAKDM4EGFERADORA1
SCHEMBL7975156 0.77 ADORA1 (0.81) ALDH1A1GAAKDM4EGFERADORA1

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
EP-2334675-B1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2014-03-26 EP claimed
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 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.