SCHEMBL5460119

SCHEMBL5460119

O=C(COCc1ccccc1)Nc1nccc(-c2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.53
▸ ADORA2A P29274 2/20 0.53
▸ ADORA1 P30542 1/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CSNK1D P48730 1/20 0.47
▸ IKBKB O14920 1/20 0.46
▸ AKT3 Q9Y243 1/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ MAPK13 O15264 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ CAMK2D Q13557 1/20 0.43

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) ADORA3ADORA2AADORA1CSNK1DIKBKB
SCHEMBL5466993 0.89 ADORA3 (0.53) ADORA3ADORA2AADORA1CSNK1DIKBKB
SCHEMBL5468779 0.85 ADORA3 (0.65) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL5460107 0.84 ADORA2A (0.50) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL5470769 0.79 PLK1 (0.53) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL14102505 0.78 KMT2A (0.64) MEN1KMT2ACSNK1DGAAHDAC1
SCHEMBL5472823 0.76 ADORA1 (0.57) ADORA1MEN1KMT2AJAK2JAK3
SCHEMBL5465546 0.76 GAA (0.69) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL415057 0.75 NAMPT (0.62) MEN1KMT2AGAA
SCHEMBL5465532 0.74 ADORA3 (0.65) ADORA3ADORA2AADORA1MEN1KMT2A

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

“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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