SCHEMBL16784889

SCHEMBL16784889

Cc1cccnc1N1CCN(c2ncc(-c3cccc(CNC(=O)OC(C)(C)C)c3)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 16/20 0.62
▸ BRD4 O60885 2/20 0.45
▸ AKT1 P31749 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ CREBBP Q92793 1/20 0.41

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
SCHEMBL16785105 0.86 AOC3 (0.57) AOC3BRD4ROCK2CREBBP
SCHEMBL16785103 0.85 AOC3 (0.46) AOC3BRD4ROCK2
SCHEMBL11892870 0.84 AOC3 (0.50) AOC3
SCHEMBL16785110 0.84 AOC3 (0.46) AOC3BRD4ROCK2CREBBP
SCHEMBL16784888 0.83 AOC3 (0.59) AOC3BRD4ROCK2CREBBP
SCHEMBL16785094 0.83 AOC3 (0.47) AOC3BRD4CREBBP
SCHEMBL12526737 0.82 AOC3 (0.61) AOC3ROCK2
SCHEMBL16785106 0.81 AOC3 (0.62) AOC3BRD4AKT1ROCK2CREBBP
SCHEMBL16785097 0.81 AOC3 (0.49) AOC3BRD4ROCK2CREBBP
SCHEMBL12525706 0.81 AOC3 (0.51) AOC3BRD4ROCK2CREBBP

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 700/4885BRD4 2057/4885AKT1 2058/4885

“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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