SCHEMBL1967084

SCHEMBL1967084

CC(C)Cc1nc2ccccn2c1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.50
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.50
PKM P14618 4/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
PTGS2 P35354 1/20 0.50
GFER P55789 1/20 0.50
HTT P42858 2/20 0.49
TP53 P04637 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
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

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) GAAMAPTALDH1A1PKMHPGD
SCHEMBL1969440 0.81 GAA (0.50) GAAMAPTALDH1A1PKMHPGD
SCHEMBL1966374 0.78 MAPT (0.48) GAAMAPTALDH1A1PKMHPGD
SCHEMBL1966792 0.78 GAA (0.48) GAAMAPTALDH1A1PKMHPGD
SCHEMBL1967740 0.78 ALDH1A1 (0.58) GAAMAPTALDH1A1PKMHPGD
SCHEMBL1966660 0.77 MAPT (0.47) GAAMAPTALDH1A1PKMHPGD
SCHEMBL1968833 0.77 GAA (0.51) GAAMAPTALDH1A1PKMHPGD
SCHEMBL1967080 0.76 ALDH1A1 (0.68) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL1966957 0.75 GAA (0.52) GAAMAPTALDH1A1PKMHPGD
SCHEMBL1969072 0.75 GAA (0.52) GAAMAPTALDH1A1PKMHPGD

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 GAA 441/4885MAPT 3104/4885ALDH1A1 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.