SCHEMBL1781515

SCHEMBL1781515

Cn1c(=O)c(Br)nn(-c2ccc(F)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
ALDH1A1 P00352 4/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
LMNA P02545 3/20 0.43
ABHD16A O95870 1/20 0.41
MAOB P27338 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MGLL Q99685 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.83 ADORA3 (0.51) TP53ALDH1A1POLBADORA3LMNA
SCHEMBL1780584 0.80 CTSK (0.41) TP53ALDH1A1POLBADORA3LMNA
SCHEMBL1780448 0.75 HCAR1 (0.38) TP53ALDH1A1POLBADORA3LMNA
SCHEMBL1782752 0.74 IDO1 (0.41) ALDH1A1ADORA3MAPT
SCHEMBL28414459 0.72 TP53 (0.46) TP53ALDH1A1POLBKDM4EHPGD
SCHEMBL1781192 0.70 MGLL (0.42) TP53ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL1784121 0.70 MGLL (0.46) TP53ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL1783031 0.68 ADORA2A (0.39) TP53ALDH1A1POLBL3MBTL1ADORA3
SCHEMBL25270491 0.67 ADORA3 (0.50) TP53ALDH1A1POLBHPGDL3MBTL1
SCHEMBL2562844 0.66 CA1 (0.37) ALDH1A1POLBL3MBTL1LMNAABHD16A

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 TP53 57/4885ALDH1A1 390/4885POLB 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.