SCHEMBL3594864

SCHEMBL3594864

FC(F)(F)c1cccc(Nc2ncc(Nc3cccc(OCc4ccccc4)c3)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.53
CTSC P53634 4/20 0.51
MAOB P27338 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ULK1 O75385 1/20 0.49
PPIA P62937 1/20 0.49
KIF11 P52732 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
AURKA O14965 1/20 0.48
NR4A2 P43354 1/20 0.48
SYK P43405 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
PTK6 Q13882 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47

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
SCHEMBL3594258 0.89 CTSV (0.56) MAOBULK1SYKCTSVCTSL
SCHEMBL3587641 0.84 CTSV (0.54) CTSCULK1AURKASYKCTSV
SCHEMBL14379768 0.80 CTSV (0.53) MAOBHDAC6SYKCTSVCTSL
SCHEMBL3586436 0.80 MAOB (0.57) MAOBHDAC3HDAC1HDAC2HDAC6
SCHEMBL3597265 0.80 SYK (0.48) CTSCMAOBHDAC3HDAC1HDAC2
SCHEMBL5025938 0.79 MRGPRX4 (0.69) MAOBMRGPRX4NR4A2
SCHEMBL3600773 0.79 HDAC3 (0.61) IDH2CTSCHDAC3HDAC1HDAC2
SCHEMBL3600005 0.79 HDAC3 (0.61) IDH2CTSCHDAC3HDAC1HDAC2
SCHEMBL6098127 0.78 CTSV (0.65) MAOBNR4A2SYKCTSVCTSL
SCHEMBL3589681 0.78 SYK (0.48) MAOBNR4A2SYKCTSVCTSL

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
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 IDH2 234/4885CTSC 864/4885MAOB 313/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT IDH2 234/4885CTSC 864/4885MAOB 313/4885

“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.