SCHEMBL5465855

SCHEMBL5465855

COc1ccc(-c2ccnc(NC(=O)c3ccccc3)n2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.67
PRKCA P17252 1/20 0.59
CAMKK2 Q96RR4 4/20 0.59
PIK3CG P48736 3/20 0.59
MAPK8 P45983 3/20 0.55
AAK1 Q2M2I8 1/20 0.54
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
AGTR1 P30556 1/20 0.53
PTGS2 P35354 1/20 0.52
JAK2 O60674 1/20 0.52
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
PIK3CA P42336 1/20 0.52
DYRK1A Q13627 2/20 0.51
GAK O14976 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50

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 0.85 PIK3CA (0.58) HDAC1PRKCAPIK3CGABL1BCR
SCHEMBL5472976 0.84 PIK3CA (0.59) CAMKK2PIK3CGMAPK8JAK2PIK3CA
SCHEMBL5465340 0.82 ALDH1A1 (0.61) HDAC1CAMKK2PIK3CGMAPK8ABL1
SCHEMBL5465150 0.82 HDAC1 (0.58) HDAC1CAMKK2PIK3CGMAPK8AGTR1
SCHEMBL5459991 0.82 PRKCA (0.52) HDAC1PRKCACAMKK2PIK3CGABL1
SCHEMBL5465350 0.82 SIRT2 (0.68) PRKCAABL1BCRJAK2DYRK1A
SCHEMBL5470852 0.81 ADORA1 (0.69) HDAC1PRKCACAMKK2PIK3CGMAPK8
SCHEMBL1064494 0.81 HDAC1 (1.00) HDAC1
SCHEMBL5473232 0.80 DYRK1A (0.63) PRKCACAMKK2MAPK8ABL1BCR
SCHEMBL4903189 0.80 PIK3CG (0.61) PRKCACAMKK2PIK3CGMAPK8ABL1

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 1 patent. 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

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 HDAC1 1358/4885PRKCA 4186/4885CAMKK2 2459/4885

“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.