SCHEMBL5465449

SCHEMBL5465449

COc1ccc2cc(-c3ccnc(NC(=O)c4ccccc4)n3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.58
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.54
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
NCOR1 O75376 1/20 0.52
PRKCA P17252 2/20 0.51
JAK2 O60674 1/20 0.51
HDAC1 Q13547 1/20 0.51
DYRK1A Q13627 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
ADORA1 P30542 1/20 0.49
TMIGD3 P0DMS9 1/20 0.48
PRKD3 O94806 1/20 0.48

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
SCHEMBL5472976 0.91 PIK3CA (0.59) PIK3CAHDAC2JAK2KDM4EMAPT
SCHEMBL5465350 0.88 SIRT2 (0.68) SIRT2PRKCAJAK2DYRK1AADORA1
SCHEMBL5465855 0.85 HDAC1 (0.67) PIK3CAPRKCAJAK2HDAC1DYRK1A
SCHEMBL5459991 0.83 PRKCA (0.52) PIK3CAHDAC2HDAC3NCOR1PRKCA
SCHEMBL5465964 0.83 RAB9A (0.60) PIK3CAKDM4EMAPTABL1PDGFRB
SCHEMBL2178971 0.81 HDAC2 (0.48) PIK3CAHDAC2HDAC3NCOR1PRKCA
SCHEMBL5470852 0.80 ADORA1 (0.69) PRKCAJAK2HDAC1KDM4EMAPT
SCHEMBL5473232 0.79 DYRK1A (0.63) PRKCAJAK2DYRK1AMAPTADORA3
SCHEMBL5462749 0.78 SCN10A (0.54) PIK3CAJAK2ADORA1ABL1
SCHEMBL5472823 0.77 ADORA1 (0.57) HDAC2PRKCAJAK2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR PIK3CA 4595/4885HSD17B1 343/4885HSD17B2 215/4885

“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.