SCHEMBL19903669

SCHEMBL19903669

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
RAPGEF3 O95398 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
ICMT O60725 1/20 0.34
AR P10275 2/20 0.33
RORC P51449 3/20 0.33
PGR P06401 2/20 0.33
RORA P35398 1/20 0.33
RORB Q92753 1/20 0.33
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR1H3 Q13133 1/20 0.31
NPY5R Q15761 1/20 0.31
EGFR P00533 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 1.00 KIF11 (0.39) KIF11RAPGEF3RAPGEF4PPARGPPARA
SCHEMBL22564574 0.95 RXRA (0.38) KIF11RAPGEF3RAPGEF4PPARGPPARA
SCHEMBL19903690 0.94 KIF11 (0.43) KIF11RAPGEF3RAPGEF4PPARGPPARA
SCHEMBL19903533 0.94 KIF11 (0.41) KIF11PPARGPPARAICMTAR
SCHEMBL19903520 0.94 RAPGEF3 (0.37) KIF11RAPGEF3RAPGEF4PPARGICMT
SCHEMBL19912393 0.94 KIF11 (0.36) KIF11RAPGEF3RAPGEF4PPARGPPARA
SCHEMBL19903495 0.91 KIF11 (0.39) KIF11ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL19903550 0.90 ICMT (0.37) KIF11ICMTALDH1A1MAPTSMN1; SMN2
SCHEMBL22564566 0.89 KIF11 (0.41) KIF11PPARGPPARARORCRXRA
SCHEMBL20617070 0.89 RXRA (0.40) KIF11RORCALDH1A1MAPTSMN1; SMN2

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 KIF11 3253/4885RAPGEF3 3796/4885RAPGEF4 4543/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885RAPGEF3 3777/4885RAPGEF4 4524/4885

“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.