SCHEMBL1965893

SCHEMBL1965893

Cc1ccc2nc(C(C)c3ccccc3)c(NC3CCCCC3)n2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.58
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GFER P55789 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 4/20 0.55
PABPC1 P11940 1/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL1966797 0.99 GFER (0.57) ALOX5ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL13464233 0.86 ALDH1A1 (0.73) ALOX5ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1966955 0.85 ALDH1A1 (0.78) ALOX5ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1967521 0.85 ALDH1A1 (0.75) ALOX5ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1965002 0.84 ALDH1A1 (0.76) ALOX5ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1969739 0.83 ALDH1A1 (0.76) ALOX5ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1965339 0.82 ALDH1A1 (0.73) ALOX5ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL15152555 0.79 GAA (0.57) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL1968818 0.79 ALDH1A1 (0.52) ALOX5ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1967300 0.78 ALOX5 (0.56) ALOX5ALDH1A1KDM4ECYP1A2CYP3A4

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 10 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
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 ALOX5 3673/4885ALDH1A1 203/4885KDM4E 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.