SCHEMBL3584937

SCHEMBL3584937

Clc1ccc(Nc2ncc(Br)cn2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.63
HDAC1 Q13547 3/20 0.63
HDAC2 Q92769 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
STK17A Q9UEE5 2/20 0.48
STK17B O94768 1/20 0.48
S1PR4 O95977 2/20 0.47
S1PR3 Q99500 2/20 0.47
POLA1 P09884 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
KDR P35968 1/20 0.43
LMNA P02545 1/20 0.42
NPY5R Q15761 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
KMO O15229 1/20 0.41
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL30091763 0.85 MAPK1 (0.55) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL22404983 0.85 MAPK1 (0.55) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL7765065 0.79 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL14800759 0.79 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL4729486 0.78 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL14800734 0.78 MAPT (0.48) HDAC3HDAC1HDAC2HDAC6S1PR3
SCHEMBL30091782 0.77 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL3949289 0.77 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL3591877 0.73 HDAC6 (0.53) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL12614443 0.73 RAPGEF4 (0.59) HDAC3HDAC1HDAC2HDAC6POLA1

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 12 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
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 EP claimed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 WO 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-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
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 HDAC3 4697/4885HDAC1 4706/4885HDAC2 4224/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT HDAC3 4697/4885HDAC1 4706/4885HDAC2 4224/4885

“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.