SCHEMBL20156101

SCHEMBL20156101

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
AR P10275 4/20 0.33
KIF11 P52732 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CNR2 P34972 1/20 0.31
MAT2A P31153 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
BCAT1 P54687 1/20 0.30
CTSS P25774 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
SCHEMBL20150316 0.95 AR (0.35) CYP11B1CYP11B2ARKIF11ABCG2
SCHEMBL20115000 0.95 CYP11B1 (0.37) CYP11B1CYP11B2ARABCG2RAF1
SCHEMBL20114667 0.91 KIF11 (0.42) ARKIF11ABCG2RAF1BRAF
SCHEMBL19903582 0.91 KIF11 (0.33) ARKIF11ABCG2PSEN1PSEN2
SCHEMBL21109745 0.91 KIF11 (0.33) CYP11B1CYP11B2ARKIF11CNR2
SCHEMBL19903489 0.90 KIF11 (0.34) KIF11CTSSCTSK
SCHEMBL20150322 0.90 AR (0.36) CYP11B1CYP11B2ARRAF1BRAF
SCHEMBL19942590 0.90 KIF11 (0.33) KIF11CTSSCTSK
SCHEMBL20115001 0.89 CYP11B1 (0.37) CYP11B1CYP11B2ARABCG2RAF1
SCHEMBL21116868 0.89 CYP11B1 (0.38) CYP11B1CYP11B2ARKIF11GRIN1

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 2 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
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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 (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 CYP11B1 1765/4885CYP11B2 1259/4885AR 3892/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CYP11B1 1765/4885CYP11B2 1259/4885AR 3892/4885

“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.