SCHEMBL19903580

SCHEMBL19903580

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cc2C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRG P48443 1/20 0.38
XDH P47989 1/20 0.33
ICMT O60725 3/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
AR P10275 1/20 0.31
KIF11 P52732 2/20 0.31
PTGER4 P35408 1/20 0.31
PTPN5 P54829 1/20 0.31
PGR P06401 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.30
CYP1A2 P05177 1/20 0.30
METAP2 P50579 1/20 0.30
PDPK1 O15530 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL22822513 0.99 RXRA (0.39) RXRARXRGXDHICMTCYP11B1
SCHEMBL20617198 0.99 RXRA (0.39) RXRARXRGXDHICMTCYP11B1
SCHEMBL19917996 0.96 RXRA (0.41) RXRARXRGXDHICMTCYP11B1
SCHEMBL19917926 0.95 ICMT (0.35) RXRARXRGICMTCYP11B1CYP11B2
SCHEMBL22822446 0.95 RXRA (0.41) RXRARXRGXDHCYP11B1CYP11B2
SCHEMBL22822267 0.94 KIF11 (0.39) RXRARXRGXDHKIF11PTGER4
SCHEMBL19903607 0.94 RXRA (0.38) RXRARXRGXDHCYP11B1CYP11B2
SCHEMBL19903693 0.94 RXRA (0.38) RXRARXRGXDHICMTCYP11B1
SCHEMBL22822414 0.94 RXRA (0.40) RXRARXRGXDHCYP11B1CYP11B2
SCHEMBL19917919 0.93 PTPN5 (0.39) RXRARXRGPTPN5PGRGRIN1

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 RXRA 3779/4885RXRG 3669/4885XDH 91/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3635/4885RXRG 3474/4885XDH 68/4885

“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.