SCHEMBL1967005

SCHEMBL1967005

CC(C)c1nc2ccccn2c1NC1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.97
KDM4E B2RXH2 4/20 0.97
CYP1A2 P05177 1/20 0.97
CYP3A4 P08684 1/20 0.97
CYP2D6 P10635 1/20 0.97
CYP2C9 P11712 1/20 0.97
CYP2C19 P33261 1/20 0.97
GFER P55789 2/20 0.67
TP53 P04637 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
ADORA1 P30542 1/20 0.59
GAA P10253 2/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TRIM33 Q9UPN9 3/20 0.55
TRIM24 O15164 2/20 0.55
SALL4 Q9UJQ4 2/20 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
SCHEMBL1967738 0.99 ALDH1A1 (1.00) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1966426 0.87 ALDH1A1 (0.76) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1965002 0.87 ALDH1A1 (0.76) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1968831 0.86 ALDH1A1 (0.78) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1966955 0.86 ALDH1A1 (0.78) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1969421 0.86 ALDH1A1 (0.73) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1969071 0.85 ALDH1A1 (0.76) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1965763 0.84 ALDH1A1 (0.74) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1965236 0.82 ALDH1A1 (0.97) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6642390 0.81 ALDH1A1 (0.70) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6

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 11 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
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.