SCHEMBL1782464

SCHEMBL1782464

Fc1ccc(CN2CCNCC2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 3/20 0.52
NR1H2 P55055 1/20 0.49
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 2/20 0.46
IDO1 P14902 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
P2RX7 Q99572 2/20 0.45
MELK Q14680 1/20 0.44
KCNH2 Q12809 1/20 0.44
ABL1 P00519 1/20 0.44
CYP3A4 P08684 1/20 0.44
BCR P11274 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
DDR1 Q08345 1/20 0.44

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
SCHEMBL20045570 0.88 SLC6A4 (0.48) GPR183SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL2707964 0.84 NR1H2 (0.70) NR1H2SLC6A4KDM4EMELKABL1
SCHEMBL17320454 0.84 NR1H2 (0.51) NR1H2SLC6A4KDM4EMELKABL1
SCHEMBL18580987 0.84 GPR183 (0.48) GPR183NR1H2SLC6A4KDM4EMELK
SCHEMBL19914934 0.81 NR1H2 (0.49) NR1H2SLC6A4KDM4EMELKABL1
SCHEMBL2924537 0.81 KDM4E (0.70) SLC6A2SLC6A4SLC6A3KDM4ESMN1; SMN2
SCHEMBL19917862 0.80 NR1H2 (0.48) NR1H2SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL23293590 0.80 KDM4E (0.50) SLC6A2SLC6A4SLC6A3KDM4ESMN1; SMN2
SCHEMBL1779555 0.80 KDM4E (0.67) SLC6A2SLC6A4KDM4ECYP3A4
SCHEMBL30616749 0.80 KDM4E (0.50) SLC6A2SLC6A4SLC6A3KDM4ESMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO disclosed
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
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
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
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 GPR183 2652/4885NR1H2 2883/4885SLC6A2 1267/4885

“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.