SCHEMBL1968695

SCHEMBL1968695

Brc1ccccc1-c1nc2ccccn2c1Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.62
MAPT P10636 10/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
PTGS2 P35354 1/20 0.60
HPGD P15428 4/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HTT P42858 1/20 0.59
PKM P14618 4/20 0.56
GFER P55789 1/20 0.56
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 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
SCHEMBL1971469 0.83 MAPT (0.62) GAAMAPTSMN1; SMN2PTGS2HPGD
SCHEMBL1965255 0.83 GAA (0.64) GAAMAPTSMN1; SMN2PTGS2HPGD
SCHEMBL1970288 0.81 TUBB4A (0.68) GAAMAPTSMN1; SMN2PTGS2HPGD
SCHEMBL15152603 0.81 TUBB4A (0.64) GAAMAPTSMN1; SMN2PTGS2HPGD
SCHEMBL1982718 0.80 GAA (0.58) GAAMAPTSMN1; SMN2PTGS2HPGD
SCHEMBL1965127 0.78 GAA (0.59) GAAMAPTSMN1; SMN2PTGS2HPGD
SCHEMBL15152588 0.77 TUBB4A (0.57) GAAMAPTSMN1; SMN2PTGS2HPGD
SCHEMBL15152571 0.76 GAA (0.59) GAAMAPTSMN1; SMN2PTGS2HPGD
SCHEMBL1966948 0.76 ALDH1A1 (0.63) GAAMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL15152583 0.76 GAA (0.43) GAAMAPTSMN1; SMN2PTGS2HPGD

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 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 GAA 441/4885MAPT 3104/4885SMN1; SMN2 3745/4885

“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.