SCHEMBL4560348

SCHEMBL4560348

CCOC(=O)c1cn2cnc(-c3cccnc3)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
CYP2A6 P11509 3/20 0.47
CYP2E1 P05181 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2B6 P20813 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
DCTPP1 Q9H773 1/20 0.47
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL4084118 0.82 CYP2A6 (0.44) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL14354028 0.79 KDM4E (0.64) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL16039101 0.77 KDM4E (0.60) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL13633503 0.76 GAA (0.50) KDM4EPOLBALDH1A1HPGDDCTPP1
SCHEMBL13633542 0.76 GAA (0.50) KDM4EPOLBALDH1A1DCTPP1MMP2
SCHEMBL14633861 0.76 KDM4E (0.64) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL4501593 0.74
SCHEMBL2922016 0.73 KDM4E (0.63) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL23365538 0.72 GABRP (0.54) KDM4EPOLBALDH1A1HPGDDCTPP1
SCHEMBL21639285 0.72 KDM4E (0.53) KDM4EPOLBALDH1A1HPGDGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER INC 2009-11-05 US 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-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS DPYD, TYMP, ITPA KDM4E 4078/4885POLB 640/4885ALDH1A1 272/4885

“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.