SCHEMBL4046314

SCHEMBL4046314

COc1ccccc1-c1nnc(N)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.55
FGFR1 P11362 1/20 0.52
FGFR2 P21802 1/20 0.52
DCUN1D1 Q96GG9 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.47
PDE5A O76074 4/20 0.47
AURKA O14965 1/20 0.47
ALPL P05186 1/20 0.45
SLC2A1 P11166 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
PARP1 P09874 1/20 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
SCHEMBL1691625 0.84 KDM1A (0.40) ALDH1A1GAAFGFR1FGFR2KDM4E
SCHEMBL416493 0.81 DCUN1D1 (0.54) ALDH1A1GAAFGFR1FGFR2DCUN1D1
SCHEMBL29930881 0.79 DCUN1D1 (0.49) ALDH1A1GAAFGFR1FGFR2DCUN1D1
SCHEMBL14424580 0.79 DCUN1D1 (0.49) ALDH1A1GAAFGFR1FGFR2DCUN1D1
SCHEMBL1691623 0.79 DRD1 (0.44) ALDH1A1GAAFGFR1FGFR2KDM4E
SCHEMBL15330909 0.77 DCUN1D1 (0.46) ALDH1A1GAAFGFR1FGFR2DCUN1D1
SCHEMBL22750820 0.77 NPC1 (0.47) ALDH1A1GAADCUN1D1HSP90AA1METAP2
SCHEMBL1528695 0.74 CXCR2 (0.48) ALDH1A1GAADCUN1D1KDM4EPDE5A
SCHEMBL12453606 0.73 POLB (0.53) ALDH1A1GAADCUN1D1KDM4EPDE5A
SCHEMBL28054336 0.73 ALDH1A1 (0.44) ALDH1A1GAADCUN1D1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP claimed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP claimed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US claimed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 WO claimed
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP disclosed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US disclosed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT ALDH1A1 720/4885GAA 85/4885FGFR1 4538/4885

“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.