SCHEMBL3594258

SCHEMBL3594258

c1ccc(COc2cccc(Nc3cnc(Nc4cccc(OCc5ccccc5)c4)nc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.56
CTSL P07711 2/20 0.56
SYK P43405 1/20 0.56
PTK6 Q13882 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
BCHE P06276 2/20 0.51
MAPK1 P28482 1/20 0.51
DYRK1B Q9Y463 2/20 0.51
DYRK1A Q13627 1/20 0.51
MAOB P27338 3/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3586436 0.90 MAOB (0.57) CTSVCTSLSYKPTK6SIRT2
SCHEMBL14379768 0.90 CTSV (0.53) CTSVCTSLSYKPTK6SIRT2
SCHEMBL3597265 0.90 SYK (0.48) CTSVCTSLSYKPTK6SIRT2
SCHEMBL3594864 0.89 IDH2 (0.53) CTSVCTSLSYKPTK6SIRT2
SCHEMBL6098127 0.88 CTSV (0.65) CTSVCTSLSYKPTK6SIRT2
SCHEMBL3589681 0.85 SYK (0.48) CTSVCTSLSYKPTK6SIRT2
SCHEMBL3587641 0.84 CTSV (0.54) CTSVCTSLSYKPTK6SIRT2
SCHEMBL15145210 0.83 KMT2A (0.48) SYKSIRT2BCHEMAPK1MAOB
SCHEMBL655114 0.82 SYK (0.72) SYKSLK
SCHEMBL3581486 0.82 APP (0.63) CTSVCTSLSYKPTK6SIRT2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 EP disclosed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 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 (2 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-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT CTSV 2095/4885CTSL 3733/4885SYK 3311/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT CTSV 2095/4885CTSL 3733/4885SYK 3311/4885

“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.