SCHEMBL5472976

SCHEMBL5472976

COc1ccc(-c2ccnc(NC(=O)c3ccccc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.59
ADORA3 P0DMS8 4/20 0.59
TMIGD3 P0DMS9 2/20 0.57
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
CDKN1A P38936 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
JAK2 O60674 1/20 0.54
PIK3CG P48736 2/20 0.54
MAPK8 P45983 2/20 0.54
CAMKK2 Q96RR4 2/20 0.54
ADORA1 P30542 1/20 0.53
GSK3B P49841 1/20 0.53
PIK3CB P42338 1/20 0.53
CAMK2D Q13557 1/20 0.53
HDAC2 Q92769 1/20 0.53
CDK5 Q00535 1/20 0.53

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
SCHEMBL5465449 0.91 PIK3CA (0.58) PIK3CAADORA3TMIGD3KDM4EMAPT
SCHEMBL5470852 0.87 ADORA1 (0.69) ADORA3KDM4EMAPTNPC1RAB9A
SCHEMBL5473232 0.86 DYRK1A (0.63) ADORA3MAPTNPC1RAB9AJAK2
SCHEMBL5465855 0.84 HDAC1 (0.67) PIK3CAKDM4EMAPTJAK2PIK3CG
SCHEMBL5462749 0.84 SCN10A (0.54) PIK3CAJAK2ADORA1GSK3BCAMK2D
SCHEMBL5472470 0.83 ADORA3 (0.65) ADORA3JAK2MAPK8ADORA1CAMK2D
SCHEMBL5472823 0.83 ADORA1 (0.57) KDM4EMAPTNPC1RAB9AJAK2
SCHEMBL5472892 0.82 JAK2 (0.76) KDM4EMAPTJAK2MAPK8ADORA1
SCHEMBL5459991 0.82 PRKCA (0.52) PIK3CAADORA3CDKN1ANPC1PIK3CG
SCHEMBL5465350 0.82 SIRT2 (0.68) JAK2ADORA1GSK3BCAMK2D

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 4595/4885ADORA3 187/4885TMIGD3 4870/4885

“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.