SCHEMBL16785022

SCHEMBL16785022

N=C(N)NC(=O)NCc1cccc(-c2cnc(NCC3CCOCC3)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.45
▸ AOC3 Q16853 2/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ATR Q13535 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ VCP P55072 4/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL16785065 0.91 CCNT1 (0.42) VNN1AOC3MAP4K4CCNT1MAPK1
SCHEMBL16784916 0.90 CCNT1 (0.43) VNN1AOC3KCNH2MAP4K4CCNT1
SCHEMBL18757085 0.89 VNN1 (0.44) VNN1AOC3KCNH2ATMATR
SCHEMBL12525784 0.87 MAPK1 (0.50) AOC3MAPK1
SCHEMBL16785228 0.86 AOC3 (0.37) VNN1AOC3MAP4K4CCNT1MAPK1
SCHEMBL16785201 0.86 LMNA (0.49) ATMMAPK1
SCHEMBL16785226 0.85 AOC3 (0.39) AOC3CCNT1MAPK1
SCHEMBL16785204 0.84 CSF1R (0.44) AOC3MAPK1
SCHEMBL16785248 0.82 IRAK4 (0.42) AOC3MAPK1
SCHEMBL16785028 0.82 AOC3 (0.51) AOC3

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 VNN1 2259/4885AOC3 700/4885KCNH2 564/4885

“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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