SCHEMBL3587641

SCHEMBL3587641

FC(F)(F)c1ccccc1Nc1cnc(Nc2cccc(OCc3ccccc3)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.54
CTSL P07711 2/20 0.54
ULK1 O75385 2/20 0.52
SIRT2 Q8IXJ6 3/20 0.52
PTK6 Q13882 1/20 0.50
SYK P43405 3/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
AURKA O14965 1/20 0.45
CNR2 P34972 1/20 0.43
CTSC P53634 1/20 0.42
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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 0.84 CTSV (0.56) CTSVCTSLULK1SIRT2PTK6
SCHEMBL3594864 0.84 IDH2 (0.53) CTSVCTSLULK1SIRT2PTK6
SCHEMBL14379768 0.78 CTSV (0.53) CTSVCTSLSIRT2PTK6SYK
SCHEMBL3586436 0.78 MAOB (0.57) CTSVCTSLULK1SIRT2PTK6
SCHEMBL3589681 0.76 SYK (0.48) CTSVCTSLSIRT2PTK6SYK
SCHEMBL3597265 0.76 SYK (0.48) CTSVCTSLULK1SIRT2PTK6
SCHEMBL6352321 0.76 CTSV (0.66) CTSVCTSLSIRT2PTK6PDK1
SCHEMBL655114 0.74 SYK (0.72) SYKAURKAEGFRBTK
SCHEMBL6098127 0.73 CTSV (0.65) CTSVCTSLSIRT2PTK6SYK
SCHEMBL6360679 0.73 CTSV (0.66) CTSVCTSLSIRT2PTK6SYK

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 4 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
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 3733/4885ULK1 1410/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT CTSV 2095/4885CTSL 3733/4885ULK1 1410/4885

“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.