SCHEMBL19903547

SCHEMBL19903547

N#Cc1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
KIF11 P52732 2/20 0.34
TACR1 P25103 2/20 0.34
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
AR P10275 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 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
SCHEMBL19903548 0.97 XDH (0.36) XDHKIF11RXRARXRGGRIN1
SCHEMBL22564190 0.95 RXRA (0.40) XDHKIF11RXRARXRGGRIN1
SCHEMBL19917824 0.94 KIF11 (0.39) KIF11TACR1RXRARXRGAR
SCHEMBL19903544 0.94 XDH (0.34) XDHKIF11TACR1RXRARXRG
SCHEMBL19917924 0.94 KIF11 (0.34) XDHKIF11TACR1RXRARXRG
SCHEMBL19912572 0.93 AR (0.38) XDHKIF11RXRARXRGGRIN1
SCHEMBL19918025 0.93 AR (0.41) XDHKIF11TACR1ARCYP11B1
SCHEMBL20925085 0.92 XDH (0.31) XDHTACR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19903644 0.92 XDH (0.34) XDHKIF11GRIN1GRIN2BALDH1A1
SCHEMBL19918006 0.92 PTPN5 (0.39) XDHRXRARXRGGRIN1GRIN2B

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US 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 91/4885KIF11 3253/4885TACR1 1248/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 XDH 68/4885KIF11 3316/4885TACR1 1242/4885

“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.