SCHEMBL4176797

SCHEMBL4176797

Oc1ccc(CCNc2cc(-c3cccnc3)cc(-c3ccco3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.46
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
TLR8 Q9NR97 1/20 0.43
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
ADORA2A P29274 5/20 0.41
ADORA3 P0DMS8 4/20 0.41
ADORA2B P29275 4/20 0.41

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
SCHEMBL3664008 0.82 PTGDR (0.47) PTGDRPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3721674 0.78 GBA1 (0.53) ALDH1A1HSD17B10ALOX15MEN1LMNA
SCHEMBL2242475 0.71 PTGDR (0.54) PTGDRPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3724117 0.71 MCL1 (0.40) ALDH1A1SMN1; SMN2HSD17B10MAPTALOX15
SCHEMBL2240876 0.70 PTGDR (0.55) PTGDRPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL5022246 0.69 ADORA2A (0.47) PTGDRPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL5022980 0.68 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HSD17B10MAPTALOX15
SCHEMBL13895140 0.68 PTGDR (0.60) PTGDRPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL23291341 0.64 ADORA2A (0.72) ALDH1A1SMN1; SMN2HSD17B10MAPK1ADORA2A
SCHEMBL9912208 0.64 PTGDR (0.57) PTGDRPIK3CAPIK3CBPIK3CGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK PTGDR 847/4885PIK3CA 3688/4885PIK3CB 4315/4885

“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.