SCHEMBL5466993

SCHEMBL5466993

Cc1ccc(-c2ccnc(NC(=O)COCc3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.53
▸ ADORA1 P30542 3/20 0.53
▸ ADORA2A P29274 2/20 0.53
▸ CSNK1D P48730 2/20 0.47
▸ IKBKB O14920 1/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ CAMK2D Q13557 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CAMKK2 Q96RR4 2/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ MAPK8 P45983 1/20 0.42

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
SCHEMBL5477996 0.92 ADORA1 (0.61) ADORA3ADORA1ADORA2ACSNK1DIKBKB
SCHEMBL5460119 0.89 ADORA3 (0.53) ADORA3ADORA1ADORA2ACSNK1DIKBKB
SCHEMBL5465532 0.85 ADORA3 (0.65) ADORA3ADORA1ADORA2ACYP1A2CYP3A4
SCHEMBL5460107 0.80 ADORA2A (0.50) ADORA3ADORA1ADORA2ACSNK1DGAA
SCHEMBL5470769 0.79 PLK1 (0.53) ADORA3ADORA1ADORA2ACSNK1DGAA
SCHEMBL5473232 0.76 DYRK1A (0.63) ADORA3ADORA1ADORA2AJAK2JAK3
SCHEMBL5465546 0.76 GAA (0.69) ADORA3ADORA1ADORA2AGAAMAPK8
SCHEMBL5467323 0.75 GAA (0.60) ADORA3ADORA1ADORA2APIK3CAGAA
SCHEMBL5467334 0.74 NPSR1 (0.64) ADORA3ADORA1ADORA2AGAADYRK1A
SCHEMBL5468779 0.74 ADORA3 (0.65) ADORA3ADORA1ADORA2APIK3CAGAA

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 ADORA3 187/4885ADORA1 134/4885ADORA2A 307/4885

“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.

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