SCHEMBL1783455

SCHEMBL1783455

O=c1[nH]cc(N2CCN(Cc3ccccc3)CC2)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.57
DRD2 P14416 6/20 0.57
DRD3 P35462 6/20 0.57
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
KDM4C Q9H3R0 1/20 0.55
TRPC5 Q9UL62 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL8311608 0.74 MAPT (0.62) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL11000972 0.74 DRD4 (0.53) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL1442567 0.73 DRD2 (1.00) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL4138314 0.73 NR3C1 (0.66) DRD4DRD2DRD3TSHRMEN1
SCHEMBL10650805 0.73 DRD4 (0.49) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL16652492 0.72 MAPT (0.69) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL10998482 0.72 KMT2A (0.53) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL24393208 0.72 MAPT (1.00) ALDH1A1MAPTKDM4CTSHRHTT
SCHEMBL4813164 0.71 ALDH1A1 (1.00) DRD4DRD2DRD3ALDH1A1TRPC5
SCHEMBL4519472 0.71 DRD4 (0.62) DRD4DRD2DRD3MAPTNPSR1

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
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 EP disclosed
US-8618287-B2 Derivatives of triazines and uracils, their preparation and their application in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2013-12-31 US disclosed
EP-2328886-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS Pierre Fabre Médicament (FR) 2011-06-08 EP disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 US disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 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 (1 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-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS UNG, TYMS, UMPS DRD4 750/4885DRD2 1331/4885DRD3 925/4885

“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.