SCHEMBL1969440

SCHEMBL1969440

CC(C)(C)Cc1nc2ccccn2c1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.50
MAPT P10636 8/20 0.50
HPGD P15428 5/20 0.50
ALDH1A1 P00352 4/20 0.50
PKM P14618 4/20 0.50
KDM4E B2RXH2 2/20 0.50
PTGS2 P35354 1/20 0.50
GFER P55789 1/20 0.50
HTT P42858 1/20 0.49
ADRA1B P35368 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 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
SCHEMBL1966588 0.84 PTGS2 (0.53) GAAMAPTHPGDALDH1A1PKM
SCHEMBL1967084 0.81 GAA (0.50) GAAMAPTHPGDALDH1A1PKM
SCHEMBL1966792 0.78 GAA (0.48) GAAMAPTHPGDALDH1A1PKM
SCHEMBL1966374 0.78 MAPT (0.48) GAAMAPTHPGDALDH1A1PKM
SCHEMBL1969332 0.78 PTGS2 (0.53) GAAMAPTHPGDALDH1A1PKM
SCHEMBL1966660 0.77 MAPT (0.47) GAAMAPTHPGDALDH1A1PKM
SCHEMBL12776034 0.76 ALDH1A1 (0.47) GAAMAPTHPGDALDH1A1KDM4E
SCHEMBL1969436 0.76 ALDH1A1 (0.61) GAAMAPTHPGDALDH1A1KDM4E
SCHEMBL12775978 0.75 ALDH1A1 (0.60) GAAMAPTHPGDALDH1A1PKM
SCHEMBL1967740 0.72 ALDH1A1 (0.58) GAAMAPTHPGDALDH1A1PKM

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 GAA 441/4885MAPT 3104/4885HPGD 670/4885

“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.