SCHEMBL1782667

SCHEMBL1782667

Cn1c(=O)[nH]nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.54
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.51
▸ SIGMAR1 Q99720 2/20 0.51
▸ HTR3E A5X5Y0 1/20 0.51
▸ HTR3B O95264 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ HTR3D Q70Z44 1/20 0.51
▸ HTR3C Q8WXA8 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HTR7 P34969 3/20 0.51
▸ HTR1A P08908 2/20 0.51
▸ DRD2 P14416 2/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CHRM1 P11229 1/20 0.51

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
SCHEMBL1781795 0.84 MAOB (0.47) HTTHTR7HTR1ADRD2HTR2A
SCHEMBL1781669 0.83 KCNH2 (0.52) CYP1A2SIGMAR1HTR3EHTR3BHTR2C
SCHEMBL1781126 0.82 TSHR (0.58) TSHRALDH1A1SIGMAR1HTR3EHTR3B
SCHEMBL13532761 0.79 DRD2 (0.61) SIGMAR1HTR7HTR1ADRD2HTR2A
SCHEMBL28226906 0.76 ALDH1A1 (0.77) CYP1A2TSHRALDH1A1SIGMAR1HTR3E
SCHEMBL1784239 0.75 HTT (0.41) HTTMAPT
SCHEMBL1101976 0.74 ALDH1A1 (0.74) CYP1A2TSHRALDH1A1SIGMAR1HTR3E
SCHEMBL1784386 0.74 HTR7 (0.55) TSHRALDH1A1SIGMAR1HTR7HTR1A
Hydrochloric Acid SCHEMBL8576623 0.73 ALDH1A1 (0.72) CYP1A2TSHRALDH1A1SIGMAR1HTR3E
SCHEMBL2927397 0.71 ALDH1A1 (0.77) CYP1A2TSHRALDH1A1SIGMAR1HTR3E

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 CYP1A2 330/4885TSHR 660/4885ALDH1A1 390/4885

“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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