SCHEMBL3923734

SCHEMBL3923734

Nc1nc2cc(-c3cccnc3)cc(-c3cncs3)n2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.48
DYRK1B Q9Y463 5/20 0.48
DYRK2 Q92630 2/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDR P35968 1/20 0.40
NUDT1 P36639 1/20 0.39
FYN P06241 6/20 0.39
GLO1 Q04760 1/20 0.38
DYRK3 O43781 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PIK3CD O00329 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL3909975 0.85 KDM4E (0.57) DYRK1ADYRK1BDYRK2KDM4EALDH1A1
SCHEMBL3910497 0.81 KDM4E (0.46) DYRK1ADYRK1BDYRK2KDM4EALDH1A1
SCHEMBL3919967 0.81 KDM4E (0.52) DYRK1ADYRK1BDYRK2KDM4EALDH1A1
SCHEMBL3911347 0.79 KDM4E (0.44) DYRK1ADYRK1BDYRK2KDM4EALDH1A1
SCHEMBL3918178 0.78 KDM4E (0.43) DYRK1ADYRK1BDYRK2KDM4EALDH1A1
SCHEMBL3908991 0.78 CYP2A6 (0.50) DYRK1ADYRK1BDYRK2KDM4EALDH1A1
SCHEMBL3911184 0.78 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2NUDT1FYN
SCHEMBL3910529 0.77 ALDH1A1 (0.45) DYRK1ADYRK1BDYRK2KDM4EALDH1A1
SCHEMBL3262905 0.76 ALDH1A1 (0.49) DYRK1ADYRK1BDYRK2KDM4EALDH1A1
SCHEMBL3913978 0.76 ABL1 (0.47) PIK3CA

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 DYRK1A 1409/4885DYRK1B 2074/4885DYRK2 2296/4885

“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.