SCHEMBL4084502

SCHEMBL4084502

CCc1ncc(-c2cc(-c3cccnc3)cc3nc(N)nn23)o1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDPK1 O15530 1/20 0.37
NUDT1 P36639 1/20 0.35
F2 P00734 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL3917455 0.86 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2NUDT1
SCHEMBL3909002 0.81 ABL1 (0.45)
SCHEMBL3909975 0.80 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NUDT1CYP1A2
SCHEMBL3919967 0.78 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2NUDT1
SCHEMBL3918178 0.78 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2
SCHEMBL3913834 0.77 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2NUDT1
SCHEMBL3911140 0.77 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2NUDT1CYP1A2
SCHEMBL3914206 0.76 SMN1; SMN2 (0.43) KDM4EALDH1A1SMN1; SMN2NUDT1F2
SCHEMBL3908991 0.75 CYP2A6 (0.50) KDM4EALDH1A1SMN1; SMN2NUDT1
SCHEMBL3909959 0.75 CYP11B1 (0.39) KDM4EALDH1A1SMN1; SMN2F2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524860-B2 Antibacterial agents PFIZER INC. (US) 2009-04-28 US disclosed
US-20080021059-A1 Antibacterial Agents PFIZER INC. (US) 2008-01-24 US disclosed
EP-1799680-A2 TRIAZOLOPYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
WO-2006038116-A2 TRIAZOLOPYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 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-20080021059-A1 Antibacterial Agents CLPP, QDPR, CLSPN KDM4E 3745/4885ALDH1A1 3118/4885SMN1; SMN2 4497/4885

“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.