SCHEMBL20114997

SCHEMBL20114997

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.39
ABCG2 Q9UNQ0 2/20 0.36
PGR P06401 2/20 0.35
XDH P47989 1/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
KIF11 P52732 1/20 0.33
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
CNR2 P34972 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 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
SCHEMBL20114994 0.95 AR (0.39) ARABCG2PGRXDHALOX5AP
SCHEMBL21109746 0.93 AR (0.36) ARABCG2PGRXDHALOX5AP
SCHEMBL21258608 0.92 ABCG2 (0.35) ARABCG2PGRXDHALOX5AP
SCHEMBL20114996 0.92 AR (0.41) ARABCG2PGRXDHALOX5AP
SCHEMBL19943089 0.91 AR (0.36) ARABCG2PGRXDHALOX5AP
SCHEMBL21116271 0.91 AR (0.44) ARPGRALOX5APFEN1KIF11
SCHEMBL20112049 0.90 ALDH1A1 (0.34) ABCG2ALOX5APFEN1S1PR1S1PR3
SCHEMBL24656015 0.90 ALDH1A1 (0.34) ARABCG2ALOX5APFEN1S1PR1
SCHEMBL20111572 0.90 TRPA1 (0.36) ARABCG2PGRXDHALOX5AP
SCHEMBL20114888 0.90 AR (0.38) ARABCG2PGRXDHALOX5AP

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 AR 3892/4885ABCG2 2585/4885PGR 2785/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 AR 3892/4885ABCG2 2585/4885PGR 2785/4885

“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.