SCHEMBL16398290

SCHEMBL16398290

Cc1c(Cl)nc(Cl)nc1CO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE10A Q9Y233 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL19773336 0.82 PDK2 (0.37) ALDH1A1KDM4EPDE10ANOTUM
SCHEMBL6992919 0.79 HTT (0.34) ALDH1A1PDE10ACYP1A2ALOX15TSHR
SCHEMBL6968126 0.78 PDE10A (0.33) KDM4EPDE10ACYP1A2
SCHEMBL20273783 0.76 PDK2 (0.36) PDE10A
SCHEMBL812036 0.74 PDE10A (0.48) ALDH1A1PDE10ACYP1A2ALOX15TSHR
SCHEMBL16796105 0.74 PDE4A (0.31)
SCHEMBL21299377 0.73 ALDH1A1 (0.30) ALDH1A1KDM4EALOX15TSHR
SCHEMBL16796103 0.70 PDK1 (0.34)
SCHEMBL1181179 0.69 LMNA (0.44) ALDH1A1
SCHEMBL20302446 0.69 PDE10A (0.39) ALDH1A1KDM4EPDE10ANOTUM

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 ALDH1A1 1476/4885KDM4E 2922/4885PDE10A 1554/4885

“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.