SCHEMBL19903520

SCHEMBL19903520

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 3/20 0.37
RAPGEF4 Q8WZA2 3/20 0.37
ICMT O60725 2/20 0.36
KIF11 P52732 3/20 0.35
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
PPARG P37231 1/20 0.34
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
GRM2 Q14416 1/20 0.32
NAAA Q02083 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
DHODH Q02127 1/20 0.32
KCNH2 Q12809 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 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
SCHEMBL20829447 0.94 KIF11 (0.39) RAPGEF3RAPGEF4ICMTKIF11GRIA2
SCHEMBL19903669 0.94 KIF11 (0.39) RAPGEF3RAPGEF4ICMTKIF11GRIA2
SCHEMBL22822430 0.94 RXRA (0.41) RAPGEF3RAPGEF4ICMTKIF11GRIA2
SCHEMBL19903568 0.93 RXRA (0.35) RAPGEF3RAPGEF4ICMTKIF11RXRA
SCHEMBL19912377 0.93 RAPGEF3 (0.33) RAPGEF3RAPGEF4ICMTKIF11GRIA2
SCHEMBL19917969 0.91 KIF11 (0.38) RAPGEF3RAPGEF4ICMTKIF11GRIA2
SCHEMBL22564574 0.89 RXRA (0.38) RAPGEF3RAPGEF4KIF11PPARGRXRA
SCHEMBL19903690 0.88 KIF11 (0.43) RAPGEF3RAPGEF4ICMTKIF11GRIA2
SCHEMBL19903552 0.88 RXRA (0.38) ICMTKIF11RXRARXRGNAAA
SCHEMBL19912393 0.88 KIF11 (0.36) RAPGEF3RAPGEF4ICMTKIF11PPARG

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 6 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-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 US 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 RAPGEF3 3796/4885RAPGEF4 4543/4885ICMT 156/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RAPGEF3 3777/4885RAPGEF4 4524/4885ICMT 127/4885

“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.