SCHEMBL3591877

SCHEMBL3591877

Oc1cccc(Nc2ncc(Nc3ccc(Cl)c(Cl)c3)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
SYK P43405 10/20 0.50
PKMYT1 Q99640 1/20 0.48
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
APP P05067 1/20 0.46
EGFR P00533 2/20 0.45
ABL1 P00519 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
PDGFRA P16234 1/20 0.45
MAPK14 Q16539 1/20 0.45
DYRK3 O43781 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42

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
SCHEMBL3595281 0.88 SYK (0.60) HDAC6SYKCYP3A4TSHRAPP
SCHEMBL3605467 0.81 PIK3CA (0.60) HDAC6HDAC3HDAC1HDAC2SYK
SCHEMBL3597265 0.78 SYK (0.48) HDAC6HDAC3HDAC1HDAC2SYK
SCHEMBL3600005 0.76 HDAC3 (0.61) HDAC6HDAC3HDAC1HDAC2SYK
SCHEMBL3600773 0.76 HDAC3 (0.61) HDAC6HDAC3HDAC1HDAC2SYK
SCHEMBL2519190 0.75 PKMYT1 (0.71) SYKPKMYT1AURKA
SCHEMBL31069506 0.75 SYK (0.66) HDAC6SYKCYP3A4TSHRAPP
SCHEMBL29941318 0.74 SYK (0.70) HDAC6SYKCYP3A4TSHRAPP
SCHEMBL7765065 0.74 HDAC3 (0.55) HDAC6HDAC3HDAC1HDAC2GSK3B
SCHEMBL27740798 0.74 SYK (0.56) HDAC6SYKCYP3A4TSHRAPP

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 11 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 claimed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US claimed
CN-101448794-A Pyrimidine derivatives for the treatment of amyloid-related diseases SENEXIS LTD (GB) 2009-06-03 CN claimed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
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
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
CN-101448794-A Pyrimidine derivatives for the treatment of amyloid-related diseases SENEXIS LTD (GB) 2009-06-03 CN 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 HDAC6 3802/4885HDAC3 4697/4885HDAC1 4706/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT HDAC6 3802/4885HDAC3 4697/4885HDAC1 4706/4885

“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.