SCHEMBL1970285

SCHEMBL1970285

c1ccn2c(NC3CCCCC3)c(C3CCCCC3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
ADORA1 P30542 1/20 0.64
GAA P10253 2/20 0.59
GFER P55789 1/20 0.59
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TRIM33 Q9UPN9 3/20 0.57
ALOX5 P09917 3/20 0.57
TRIM24 O15164 2/20 0.56
ROCK2 O75116 1/20 0.56
PIM1 P11309 1/20 0.56
GSK3B P49841 1/20 0.56

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
SCHEMBL13464311 1.00 ALDH1A1 (0.64) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1967815 1.00 ALDH1A1 (0.64) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1965345 0.97 ALDH1A1 (0.64) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL13464227 0.96 ALDH1A1 (0.62) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7975156 0.82 ADORA1 (0.81) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6642390 0.82 ALDH1A1 (0.70) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL13464314 0.81 ALDH1A1 (0.76) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1966586 0.81 ALDH1A1 (0.65) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1967218 0.81 ALDH1A1 (0.76) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2986663 0.81 ADORA1 (0.79) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001027119-A2 SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES Grünenthal GmbH (DE) 2001-04-19 WO claimed
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
WO-2001027119-A2 SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES Grünenthal GmbH (DE) 2001-04-19 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.