SCHEMBL19903570

SCHEMBL19903570

Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc(-n4c5ccccc5c5ccc(-c6ccccc6C)cc54)c3C#N)c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.44
KIF11 P52732 1/20 0.35
GPBAR1 Q8TDU6 3/20 0.34
BCAT2 O15382 1/20 0.33
BCAT1 P54687 1/20 0.33
PDK2 Q15119 1/20 0.32
METAP2 P50579 1/20 0.32
TACR1 P25103 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
SCN9A Q15858 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
BACE1 P56817 1/20 0.31
PGR P06401 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
SCHEMBL19903569 0.97 AR (0.46) ARKIF11GPBAR1BCAT2BCAT1
SCHEMBL20617089 0.95 AR (0.42) ARKIF11GPBAR1BCAT2BCAT1
SCHEMBL19912539 0.95 AR (0.42) ARKIF11GPBAR1BCAT2BCAT1
SCHEMBL19903480 0.94 AR (0.44) ARKIF11GPBAR1BCAT2BCAT1
SCHEMBL19912535 0.92 AR (0.44) ARKIF11GPBAR1BCAT2BCAT1
SCHEMBL20617081 0.92 AR (0.44) ARKIF11GPBAR1BCAT2BCAT1
SCHEMBL19917949 0.91 AR (0.35) ARKIF11BCAT2BCAT1TACR1
SCHEMBL19903470 0.91 AR (0.46) ARGPBAR1BCAT2BCAT1PDK2
SCHEMBL19918048 0.89 KIF11 (0.38) KIF11TACR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22564375 0.89 AR (0.42) ARKIF11GPBAR1BCAT2BCAT1

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 AR 4190/4885KIF11 3253/4885GPBAR1 3956/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4212/4885KIF11 3316/4885GPBAR1 3858/4885

“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.