SCHEMBL16785248

SCHEMBL16785248

CN1CCOC(CNc2ncc(-c3cccc(CNC(=O)NC(=N)N)c3)cn2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ AOC3 Q16853 4/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ ACKR3 P25106 2/20 0.37
▸ IRAK1 P51617 1/20 0.36
▸ CCR3 P51677 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.35
▸ P2RX3 P56373 2/20 0.35
▸ P2RX2 Q9UBL9 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL16785201 0.86 LMNA (0.49) MAPK1
SCHEMBL16785226 0.85 AOC3 (0.39) AOC3MAPK1
SCHEMBL18757039 0.83 IRAK4 (0.49) IRAK4AOC3MAPK1WNT1GSK3B
SCHEMBL16785022 0.82 VNN1 (0.45) AOC3MAPK1
SCHEMBL16785232 0.80 AOC3 (0.61) AOC3PDE5AHDAC6
SCHEMBL16784916 0.79 CCNT1 (0.43) AOC3MAPK1GSK3BIRAK1
SCHEMBL16785025 0.79 LMNA (0.43) AOC3
SCHEMBL16785070 0.79 AOC3 (0.49) AOC3
SCHEMBL16785203 0.79 HDAC1 (0.47) AOC3MAPK1HDAC1
SCHEMBL18430341 0.78 AOC3 (0.34) AOC3MAPK1

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 IRAK4 1395/4885AOC3 700/4885MAPK1 436/4885

“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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