SCHEMBL20114667

SCHEMBL20114667

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
MAT2A P31153 5/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
BCAT1 P54687 1/20 0.35
AR P10275 4/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHODH Q02127 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL20114669 0.95 PSEN1 (0.36) KIF11MAT2APSEN1PSEN2APH1B
SCHEMBL20156101 0.91 CYP11B1 (0.34) KIF11MAT2APSEN1PSEN2APH1B
SCHEMBL20114514 0.91 SLC22A12 (0.33) KIF11MAT2ASMN1; SMN2
SCHEMBL20150299 0.91 AR (0.37) KIF11MAT2APSEN1PSEN2APH1B
SCHEMBL20150330 0.90 MAT2A (0.36) MAT2AABCG2SMN1; SMN2
SCHEMBL20150316 0.89 AR (0.35) KIF11MAT2APSEN1PSEN2APH1B
SCHEMBL21108306 0.88 KIF11 (0.43) KIF11MAT2ACNR2TSHRSMN1; SMN2
SCHEMBL19942762 0.88 KIF11 (0.43) KIF11MAT2ACNR2DHODH
SCHEMBL25659754 0.88 KIF11 (0.36) KIF11MAT2APSEN1PSEN2APH1B
SCHEMBL21116476 0.87 KIF11 (0.48) KIF11MAT2ABCAT1AR

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
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
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 KIF11 2577/4885MAT2A 2283/4885PSEN1 3522/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 KIF11 2577/4885MAT2A 2283/4885PSEN1 3522/4885

“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.