SCHEMBL1969162

SCHEMBL1969162

CC(C)c1nc2c(OCc3ccccc3)cccn2c1NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP2C19 P33261 1/20 0.57
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
ATP4A P20648 3/20 0.47
ATP4B P51164 3/20 0.47
TP53 P04637 1/20 0.47
GFER P55789 1/20 0.47
MAPK8 P45983 4/20 0.45
MAPK9 P45984 4/20 0.45
ALOX5 P09917 3/20 0.45

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
SCHEMBL6282049 0.87 PSEN1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15172636 0.85 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6276274 0.85 PSEN1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6276279 0.84 ALOX5 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9PSEN1
SCHEMBL15152580 0.81 ATP4A (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6285674 0.79 ALOX5 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13464231 0.78 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13464230 0.77 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6278384 0.77 ALOX5 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1967738 0.73 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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 7 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
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
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 ALDH1A1 203/4885CYP1A2 94/4885CYP3A4 31/4885

“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.