SCHEMBL3917455

SCHEMBL3917455

Cc1ncc(-c2cc(-c3cccnc3)cc3nc(N)nn23)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NUDT1 P36639 2/20 0.37
GLO1 Q04760 1/20 0.36
DYRK3 O43781 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FYN P06241 3/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 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
SCHEMBL4084502 0.86 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2NUDT1
SCHEMBL3911140 0.83 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2NUDT1GLO1
SCHEMBL3914206 0.83 SMN1; SMN2 (0.43) KDM4EALDH1A1SMN1; SMN2NUDT1GLO1
SCHEMBL3909975 0.82 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NUDT1GLO1
SCHEMBL3911374 0.81 JAK2 (0.43) DYRK3DYRK1ADYRK2DYRK1BFYN
SCHEMBL3919967 0.80 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2NUDT1GLO1
SCHEMBL3908991 0.80 CYP2A6 (0.50) KDM4EALDH1A1SMN1; SMN2NUDT1GLO1
SCHEMBL3913834 0.79 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2NUDT1GLO1
SCHEMBL3910497 0.78 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2NUDT1DYRK3
SCHEMBL3913871 0.78 ABL1 (0.46)

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-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
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.