SCHEMBL16785103

SCHEMBL16785103

CC(C)(C)OC(=O)NCc1cccc(-c2cnc(N3CCN(c4cccnc4)CC3)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 14/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ BRD4 O60885 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
SCHEMBL11358988 0.87 AOC3 (0.57) AOC3
SCHEMBL16785105 0.87 AOC3 (0.57) AOC3ROCK2BRD4
SCHEMBL16784889 0.85 AOC3 (0.62) AOC3ROCK2BRD4
SCHEMBL16785110 0.84 AOC3 (0.46) AOC3ROCK2GPR119BRD4
SCHEMBL16784888 0.84 AOC3 (0.59) AOC3ROCK2BRD4
SCHEMBL16785094 0.84 AOC3 (0.47) AOC3BRD4
SCHEMBL16785097 0.82 AOC3 (0.49) AOC3ROCK2BRD4
SCHEMBL12525706 0.82 AOC3 (0.51) AOC3ROCK2BRD4
SCHEMBL16785106 0.80 AOC3 (0.62) AOC3ROCK2NAMPTCYP3A4BRD4
SCHEMBL12525466 0.80 ROCK2 (0.47) AOC3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 — — EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 — — EP disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — 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-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB AOC3 700/4885ROCK2 622/4885NAMPT 1497/4885

“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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