SCHEMBL2806364

SCHEMBL2806364

COc1cc(CNC(=O)OC(C)(C)C)ccc1-c1cccc(C(=O)N(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.53
▸ ROCK1 Q13464 9/20 0.53
▸ BRD4 O60885 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ ERN1 O75460 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ATR Q13535 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ PGGT1B P53609 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL2572410 0.88 BRD4 (0.46) ROCK2ROCK1BRD4CREBBPHDAC1
SCHEMBL2569035 0.84 HDAC1 (0.57) HDAC1ERN1ATRNAMPT
SCHEMBL9726455 0.75 EPHX2 (0.62) HDAC1SMN1; SMN2ATRNAMPTGAA
SCHEMBL13715119 0.75 GLS (0.45) ROCK2ROCK1BRD4CREBBPHDAC1
SCHEMBL2570653 0.75 BRD4 (0.50) ROCK2ROCK1BRD4
SCHEMBL24838807 0.74 ALDH1A1 (0.51) SMN1; SMN2
SCHEMBL3415738 0.74 CHRM3 (0.51) BRD4CREBBPHDAC1ERN1FNTA
SCHEMBL14832994 0.73 HDAC1 (0.49) BRD4CREBBPHDAC1SMN1; SMN2NAMPT
SCHEMBL2574214 0.73 CYP1A2 (0.56) —
SCHEMBL2574484 0.73 HDAC1 (0.59) HDAC1ERN1SMN1; SMN2NAMPTFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 — — US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 — — US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — 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 (2 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 ROCK2 3396/4885ROCK1 2970/4885BRD4 3760/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP ROCK2 3426/4885ROCK1 3151/4885BRD4 3272/4885

“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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