SCHEMBL1967013

SCHEMBL1967013

COc1ccc(-c2cccc3nc(-c4ccccc4Cl)c(NC4CCCCC4)n23)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.49
ALOX5 P09917 5/20 0.48
CREBBP Q92793 1/20 0.44
CNR1 P21554 1/20 0.43
ADORA1 P30542 1/20 0.42
JAK1 P23458 2/20 0.40
IKBKB O14920 1/20 0.40
RIPK2 O43353 1/20 0.40
JAK2 O60674 1/20 0.40
LCK P06239 1/20 0.40
TYK2 P29597 1/20 0.40
SYK P43405 1/20 0.40
GSK3B P49841 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2B Q14289 1/20 0.40
ATM Q13315 1/20 0.40
BRD4 O60885 1/20 0.40
APP P05067 1/20 0.39

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
SCHEMBL1967204 0.83 ALOX5 (0.45) BACE1ALOX5CNR1ADORA1BRD4
SCHEMBL1970423 0.82 ALOX5 (0.64) BACE1ALOX5CREBBPADORA1ATM
SCHEMBL13464238 0.82 CNR1 (0.41) BACE1ALOX5CREBBPCNR1BRD4
SCHEMBL1967015 0.81 PKM (0.53) BACE1JAK1JAK2BRD4APP
SCHEMBL1967088 0.81 BACE1 (0.55) BACE1ALOX5CNR1ADORA1BRD4
SCHEMBL1965238 0.81 ALOX5 (0.45) BACE1ALOX5CNR1ADORA1
SCHEMBL1970632 0.80 BACE1 (0.54) BACE1ALOX5ADORA1BRD4
SCHEMBL1967772 0.79 ALOX5 (0.43) BACE1ALOX5CNR1ADORA1
SCHEMBL13464262 0.79 ALOX5 (0.43) BACE1ALOX5CNR1ADORA1
SCHEMBL1964933 0.79 ALOX5 (0.43) BACE1ALOX5CNR1ADORA1

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
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

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 BACE1 2906/4885ALOX5 3673/4885CREBBP 1404/4885

“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.