SCHEMBL1967740

SCHEMBL1967740

CC(C)c1nc2ccccn2c1Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
GAA P10253 9/20 0.56
HPGD P15428 4/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 8/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
TP53 P04637 5/20 0.54
PTGS2 P35354 1/20 0.53
PKM P14618 4/20 0.53
GFER P55789 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48

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
SCHEMBL1966957 0.87 GAA (0.52) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1968252 0.86 TUBB4A (0.67) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1968838 0.86 ALDH1A1 (0.53) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1968833 0.86 GAA (0.51) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1967051 0.85 CDK2 (0.53) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1969072 0.84 GAA (0.52) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1965764 0.84 GAA (0.49) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1967097 0.83 GAA (0.59) ALDH1A1KDM4EGAAHTTMAPT
SCHEMBL15152557 0.81 GAA (0.60) ALDH1A1KDM4EGAAHPGDHTT
SCHEMBL15152556 0.80 GAA (0.53) ALDH1A1KDM4EGAAHPGDHTT

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 5 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-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 203/4885KDM4E 1975/4885CYP1A2 94/4885

“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.