SCHEMBL1781126

SCHEMBL1781126

Cn1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.57
▸ TP53 P04637 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.53
▸ HPGD P15428 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MDM2 Q00987 1/20 0.53
▸ CTSK P43235 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ HTR7 P34969 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ HTR3E A5X5Y0 1/20 0.49
▸ HTR3B O95264 1/20 0.49

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
SCHEMBL1784386 0.84 HTR7 (0.55) TSHRHSD17B10TP53ALDH1A1HPGD
SCHEMBL1784669 0.83 KDM4E (0.52) TSHRTP53ALDH1A1MAPTSIGMAR1
SCHEMBL1781717 0.82 POLB (0.55) TP53ALDH1A1HPGDSMN1; SMN2ATM
SCHEMBL1782667 0.82 CYP1A2 (0.54) TSHRHSD17B10ALDH1A1MAPTMDM2
SCHEMBL8797848 0.80 HTR7 (0.53) TSHRHSD17B10TP53ALDH1A1HTR7
SCHEMBL12603841 0.80 TRPA1 (0.61) TP53ALDH1A1MAPTATMLMNA
SCHEMBL8797552 0.79 DRD2 (0.58) HTR7SIGMAR1HTR1ADRD2HTR2A
SCHEMBL8797503 0.78 DRD2 (0.61) HTR7SIGMAR1HTR1ADRD2HTR2A
SCHEMBL28226906 0.77 ALDH1A1 (0.77) TSHRALDH1A1MAPTSMN1; SMN2SIGMAR1
SCHEMBL1101976 0.75 ALDH1A1 (0.74) TSHRALDH1A1MAPTSMN1; SMN2SIGMAR1

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 7 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
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

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 TSHR 660/4885HSD17B10 1847/4885TP53 57/4885

“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.

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