SCHEMBL2397900

SCHEMBL2397900

FC(F)(F)c1cccc(CC(c2nnc(-c3ccc4[nH]cnc4c3)s2)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.46
AKT1 P31749 3/20 0.45
CDK2 P24941 2/20 0.43
QPCTL Q9NXS2 7/20 0.41
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TEK Q02763 1/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34

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
SCHEMBL2397400 0.79 QPCT (0.46) QPCTDRD4DRD3TMEM97SIGMAR1
SCHEMBL2396653 0.72 QPCTL (0.58) QPCTQPCTLPIM1PIM3
SCHEMBL2395994 0.72 QPCTL (0.49) QPCTQPCTL
SCHEMBL2397418 0.72 QPCTL (0.57) QPCTQPCTLPIM1PIM3
SCHEMBL2397364 0.71 QPCTL (0.44) QPCTAKT1CDK2QPCTLDYRK1A
SCHEMBL2399424 0.71 QPCT (0.84) QPCTQPCTL
SCHEMBL2397541 0.69 QPCTL (0.42) QPCTAKT1CDK2QPCTL
SCHEMBL2397896 0.68 QPCT (0.63) QPCTQPCTL
SCHEMBL2397082 0.67 QPCTL (0.84) QPCTQPCTL
SCHEMBL2399874 0.67 QPCTL (0.46) QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP claimed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US claimed
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US 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-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS QPCT 1/4885AKT1 3683/4885CDK2 1210/4885

“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.