SCHEMBL20115001

SCHEMBL20115001

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
AR P10275 6/20 0.35
PGR P06401 2/20 0.33
ICMT O60725 3/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 1/20 0.32
RAF1 P04049 2/20 0.31
BRAF P15056 2/20 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
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
RXRG P48443 1/20 0.31
XDH P47989 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
SCHEMBL20150318 0.94 AR (0.35) CYP11B1CYP11B2ARPGRRAF1
SCHEMBL20115000 0.92 CYP11B1 (0.37) CYP11B1CYP11B2ARPGRRXRA
SCHEMBL19903490 0.89 CTSS (0.33) ICMTRXRARXRBCTSSCTSK
SCHEMBL20156101 0.89 CYP11B1 (0.34) CYP11B1CYP11B2ARRAF1BRAF
SCHEMBL20848595 0.89 CYP11B1 (0.32) CYP11B1CYP11B2ARPSEN1PSEN2
SCHEMBL19903583 0.89 CTSS (0.33) CYP11B1CYP11B2ARPSEN1PSEN2
SCHEMBL21108048 0.89 CYP11B1 (0.34) CYP11B1CYP11B2ARPGRICMT
SCHEMBL21109634 0.88 ICMT (0.32) CYP11B1CYP11B2ICMTRXRARXRB
SCHEMBL21116273 0.88 CYP11B1 (0.42) CYP11B1CYP11B2ARPGRICMT
SCHEMBL19903643 0.88 XDH (0.34) CYP11B1CYP11B2ARPSEN1PSEN2

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 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.