SCHEMBL16785028

SCHEMBL16785028

N=C(N)NC(=O)NCc1cccc(-c2cnc(NCc3ccc(N4CCOCC4)cc3)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 6/20 0.51
▸ STAT6 P42226 7/20 0.49
▸ SRC P12931 1/20 0.47
▸ TRPV1 Q8NER1 2/20 0.47
▸ JAK2 O60674 2/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TTK P33981 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ NTRK1 P04629 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ DYRK1A Q13627 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
SCHEMBL12523890 0.90 STAT6 (0.54) AOC3STAT6SRCJAK2JAK1
SCHEMBL14993252 0.87 AOC3 (0.66) AOC3SRC
SCHEMBL12526733 0.87 AOC3 (0.53) AOC3SRCTRPV1JAK2JAK1
SCHEMBL16785076 0.86 SRC (0.52) AOC3SRC
SCHEMBL16785070 0.86 AOC3 (0.49) AOC3SRC
SCHEMBL16785236 0.85 AOC3 (0.65) AOC3SRC
SCHEMBL12525471 0.84 AOC3 (0.47) AOC3STAT6SRCNTRK1
SCHEMBL12525763 0.83 AURKA (0.54) AOC3SRC
SCHEMBL16785022 0.82 VNN1 (0.45) AOC3
SCHEMBL16785072 0.81 VNN1 (0.48) —

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 700/4885STAT6 2880/4885SRC 4602/4885

“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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