SCHEMBL20114669

SCHEMBL20114669

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KIF11 P52732 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 3/20 0.34
MAT2A P31153 4/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE10A Q9Y233 1/20 0.34
BCAT1 P54687 1/20 0.33
XDH P47989 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL20150299 0.96 AR (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20114667 0.95 KIF11 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20115000 0.90 CYP11B1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20114995 0.90 AR (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20150295 0.90 XDH (0.34) KIF11MAT2AXDH
SCHEMBL20150331 0.88 ALDH1A1 (0.35) TSHRSMN1; SMN2MAT2ACYP11B1CYP11B2
SCHEMBL20150322 0.88 AR (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20150320 0.87 AR (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19942764 0.86 KIF11 (0.36) KIF11TSHRSMN1; SMN2MAT2APDE10A
SCHEMBL20156101 0.86 CYP11B1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 EP 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 (2 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 PSEN1 3522/4885PSEN2 2239/4885APH1B 3325/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PSEN1 3522/4885PSEN2 2239/4885APH1B 3325/4885

“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.