SCHEMBL19903524

SCHEMBL19903524

CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc(C#N)c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAPGEF3 O95398 2/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
XDH P47989 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MAT2A P31153 3/20 0.31
SCN9A Q15858 2/20 0.31
ICMT O60725 1/20 0.31
AR P10275 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL19903532 0.95 KIF11 (0.41) KIF11TSHRSMN1; SMN2RAPGEF3RAPGEF4
SCHEMBL22564178 0.94 RXRA (0.36) KIF11TSHRSMN1; SMN2XDHALOX5AP
SCHEMBL19912571 0.93 TSHR (0.34) KIF11TSHRSMN1; SMN2XDHALOX5AP
SCHEMBL19903506 0.93 KIF11 (0.37) KIF11TSHRSMN1; SMN2XDHALOX5AP
SCHEMBL21440722 0.92 KIF11 (0.36) KIF11TSHRSMN1; SMN2RAPGEF3RAPGEF4
SCHEMBL19903491 0.92 RAPGEF3 (0.35) KIF11TSHRSMN1; SMN2RAPGEF3RAPGEF4
SCHEMBL20617042 0.90 KIF11 (0.39) KIF11TSHRSMN1; SMN2XDHMAT2A
SCHEMBL19903515 0.89 KIF11 (0.36) KIF11TSHRSMN1; SMN2RAPGEF3RAPGEF4
SCHEMBL19918040 0.89 KIF11 (0.34) KIF11TSHRSMN1; SMN2RAPGEF3RAPGEF4
SCHEMBL19912569 0.89 KIF11 (0.38) KIF11TSHRSMN1; SMN2XDHMAT2A

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-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 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 3253/4885TSHR 2705/4885SMN1; SMN2 4423/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885TSHR 2400/4885SMN1; SMN2 4419/4885

“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.