SCHEMBL16398129

SCHEMBL16398129

FC(F)(F)COCc1cc(N2CCC2)nc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 10/20 0.39
▸ SLC6A4 P31645 10/20 0.39
▸ KCNH2 Q12809 10/20 0.39
▸ CASP1 P29466 3/20 0.38
▸ CASP5 P51878 3/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16398122 0.87 TACR1 (0.37) TACR1SLC6A4KCNH2HRH4CNR2
SCHEMBL16397920 0.78 CHRM3 (0.37) CASP1CASP5CASP4MAPTHRH4
SCHEMBL16397831 0.76 TACR1 (0.36) TACR1SLC6A4KCNH2ALDH1A1
SCHEMBL19773364 0.75 TACR1 (0.39) TACR1SLC6A4KCNH2CASP1CASP5
SCHEMBL16397727 0.74 ALDH1A1 (0.34) TACR1SLC6A4KCNH2LMNATSHR
SCHEMBL16398389 0.72 HTR2A (0.34) TACR1SLC6A4KCNH2CNR2LMNA
SCHEMBL16397842 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16398232 0.70 NPC1 (0.33) TACR1SLC6A4KCNH2MAPTRAB9A
SCHEMBL16398065 0.70 MEN1 (0.40) TACR1SLC6A4KCNH2MAPTCYP1A2
SCHEMBL2179648 0.70 GBA1 (0.43) CASP1CASP5CASP4MAPTHRH4

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
EP-3004079-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS ACTURUM REAL ESTATE AB (SE) 2018-01-17 — — EP disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 — — US disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 — — US disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 — — US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 — — US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 — — US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 — — US disclosed
EP-3004079-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-04-13 — — EP disclosed
WO-2014195323-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2014-12-11 — — 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-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APP TACR1 1350/4885SLC6A4 3517/4885KCNH2 4199/4885

“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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