SCHEMBL1784121

SCHEMBL1784121

COc1ccccc1-n1nc(Br)c(=O)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
TP53 P04637 1/20 0.45
ADORA2A P29274 1/20 0.44
TSHR P16473 1/20 0.42
JAK2 O60674 1/20 0.41
BTK Q06187 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
METAP2 P50579 1/20 0.40
HCAR1 Q9BXC0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 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
SCHEMBL1781192 0.81 MGLL (0.42) MGLLTP53TSHRJAK2MEN1
SCHEMBL7656052 0.77 ADORA1 (0.54) MGLLADORA3ADORA1TP53ADORA2A
SCHEMBL3583764 0.76 ALDH1A1 (0.47) ADORA3ADORA1TP53TSHRALDH1A1
SCHEMBL15871240 0.75 ADORA3 (0.51) ADORA3TP53NPSR1KMT2AALDH1A1
SCHEMBL30582271 0.75 ADORA3 (0.45) MGLLADORA3ADORA1TP53ADORA2A
SCHEMBL1781515 0.70 TP53 (0.48) MGLLADORA3ADORA1TP53ADORA2A
SCHEMBL5718827 0.67 L3MBTL1 (0.58) ADORA3ADORA1TP53ADORA2AHCAR1
SCHEMBL7045442 0.66 SMN1; SMN2 (0.41) MGLLADORA3ADORA1TP53ADORA2A
SCHEMBL8593864 0.66 SMN1; SMN2 (0.47) MGLLTP53TSHRKMT2AALDH1A1
SCHEMBL74675 0.66 ABHD16A (0.57) MGLL

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 MGLL 4230/4885ADORA3 415/4885ADORA1 779/4885

“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.