SCHEMBL1780448

SCHEMBL1780448

Cn1c(=O)c(Br)nn(-c2ccsc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.38
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
CTSK P43235 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
PARG Q86W56 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL15871240 0.78 ADORA3 (0.51) TP53POLBLMNAALDH1A1RAB9A
SCHEMBL1781515 0.75 TP53 (0.48) TP53POLBLMNAALDH1A1RAB9A
SCHEMBL1780584 0.72 CTSK (0.41) TP53POLBLMNAALDH1A1CTSK
SCHEMBL1782752 0.72 IDO1 (0.41) ALDH1A1CTSKADORA3MAPT
SCHEMBL1781192 0.68 MGLL (0.42) HCAR1TP53LMNAALDH1A1MEN1
SCHEMBL1783031 0.66 ADORA2A (0.39) TP53POLBLMNAALDH1A1RAB9A
SCHEMBL1784121 0.65 MGLL (0.46) HCAR1TP53ALDH1A1ADORA3MEN1
SCHEMBL14945847 0.63
SCHEMBL12603817 0.60 ADORA2A (0.40) ALDH1A1MAPTHRH3
SCHEMBL28090496 0.59 MGLL (0.54) LMNAALDH1A1

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 3 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
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

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 HCAR1 1332/4885TP53 57/4885POLB 84/4885

“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.