SCHEMBL12523890

SCHEMBL12523890

N=C(N)NC(=O)NCc1cccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 9/20 0.54
▸ AOC3 Q16853 3/20 0.50
▸ JAK2 O60674 2/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ TTK P33981 1/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ NTRK1 P04629 2/20 0.49
▸ SRC P12931 1/20 0.47
▸ BTK Q06187 1/20 0.46
▸ NAMPT P43490 2/20 0.45

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
SCHEMBL16785028 0.90 AOC3 (0.51) STAT6AOC3JAK2JAK1TTK
SCHEMBL14993252 0.86 AOC3 (0.66) AOC3SRC
SCHEMBL12526733 0.86 AOC3 (0.53) AOC3JAK2JAK1SRCNAMPT
SCHEMBL16785236 0.84 AOC3 (0.65) AOC3SRC
SCHEMBL16785031 0.82 STAT6 (0.46) STAT6AOC3NTRK1SRCNAMPT
SCHEMBL16785247 0.82 PTPN1 (0.44) AOC3NAMPT
SCHEMBL16785070 0.82 AOC3 (0.49) AOC3SRC
SCHEMBL16785073 0.81 ROCK2 (0.46) STAT6NAMPT
SCHEMBL18757010 0.80 JAK2 (0.58) STAT6JAK2JAK1TTKJAK3
SCHEMBL12525471 0.80 AOC3 (0.47) STAT6AOC3NTRK1SRC

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 7 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
WO-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 — — WO 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 STAT6 2880/4885AOC3 700/4885JAK2 2903/4885

“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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