SCHEMBL1987906

SCHEMBL1987906

Cc1cc2nc(C(C)C)c(Nc3ccccc3)n2cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
GAA P10253 8/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MITF O75030 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKLR P30613 1/20 0.37
TP53 P04637 4/20 0.36
GFER P55789 2/20 0.36
MAPT P10636 3/20 0.35
THRB P10828 2/20 0.35
JAK2 O60674 1/20 0.34

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
SCHEMBL15152557 0.79 GAA (0.60) GAAALDH1A1KDM4EHPGDPKM
SCHEMBL1967097 0.78 GAA (0.59) GAAALDH1A1KDM4EPKMHTT
SCHEMBL1970623 0.76 GAA (0.58) TRPA1GAAALDH1A1KDM4EHPGD
SCHEMBL15152578 0.75 GAA (0.45) GAAALDH1A1KDM4EHPGDPKM
SCHEMBL15152556 0.75 GAA (0.53) TRPA1GAAALDH1A1KDM4EHPGD
SCHEMBL16160257 0.75 TRPA1 (0.36) TRPA1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL1967740 0.74 ALDH1A1 (0.58) GAAALDH1A1KDM4EHPGDPKM
SCHEMBL15152577 0.74 ALDH1A1 (0.67) GAAALDH1A1KDM4EPKMHTT
SCHEMBL1987904 0.73 ALDH1A1 (0.65) GAAALDH1A1KDM4EPKMHTT
SCHEMBL15152576 0.71 GAA (0.48) GAAALDH1A1KDM4EHPGDPKM

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 8 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-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 TRPA1 4670/4885GAA 441/4885ALDH1A1 203/4885

“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.