SCHEMBL19903641

SCHEMBL19903641

N#Cc1cc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.34
ABCG2 Q9UNQ0 5/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 1/20 0.33
LMNA P02545 3/20 0.32
POLB P06746 1/20 0.32
CNR2 P34972 1/20 0.31
METAP2 P50579 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL22822534 0.95 RXRA (0.36) XDHABCG2CTSSCTSKLMNA
SCHEMBL19903644 0.94 XDH (0.34) XDHABCG2CTSSCTSKLMNA
SCHEMBL19903597 0.94 ABCG2 (0.33) XDHABCG2CTSSCTSKLMNA
SCHEMBL21108025 0.93 XDH (0.34) XDHABCG2CTSSLMNAPOLB
SCHEMBL19903494 0.92 CTSS (0.34) XDHABCG2CTSSCTSKLMNA
SCHEMBL22822535 0.92 RXRA (0.38) XDHABCG2CTSSCTSKLMNA
SCHEMBL19903535 0.92 ABCG2 (0.34) XDHABCG2CTSSCTSKLMNA
SCHEMBL19903544 0.92 XDH (0.34) XDHCTSSKDM4EALDH1A1GAA
SCHEMBL19918016 0.90 XDH (0.37) XDHABCG2CTSSCTSKLMNA
SCHEMBL19903662 0.90 XDH (0.33) XDHABCG2CTSSCTSKPOLB

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 XDH 91/4885ABCG2 3177/4885CTSS 4248/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 XDH 68/4885ABCG2 3166/4885CTSS 4073/4885

“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.