SCHEMBL19903671

SCHEMBL19903671

N#Cc1cc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-n1c2cc(C(F)(F)F)ccc2c2ccc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
MAT2A P31153 5/20 0.34
CTSS P25774 4/20 0.33
CTSK P43235 3/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CTSB P07858 1/20 0.31
KCNH2 Q12809 1/20 0.31
AR P10275 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
SCHEMBL19903672 0.95 KIF11 (0.44) KIF11MAT2ACTSSCTSKALOX5AP
SCHEMBL22564393 0.94 RXRA (0.38) KIF11MAT2ACTSSALOX5APFEN1
SCHEMBL21440722 0.93 KIF11 (0.36) KIF11MAT2ACTSSCTSKTSHR
SCHEMBL19917927 0.91 CYP11B1 (0.36) KIF11CTSSCTSKALOX5APFEN1
SCHEMBL19903506 0.91 KIF11 (0.37) KIF11MAT2ACTSSCTSKALOX5AP
SCHEMBL19903626 0.90 KIF11 (0.36) KIF11CTSSCTSKKDM4ECYP11B1
SCHEMBL21414182 0.90 KIF11 (0.37) KIF11MAT2AALOX5APFEN1TSHR
SCHEMBL19917963 0.90 CTSS (0.33) KIF11CTSSCTSKALOX5APFEN1
SCHEMBL22564390 0.90 KIF11 (0.41) KIF11MAT2ACTSSKDM4E
SCHEMBL19918040 0.90 KIF11 (0.34) KIF11CTSSCTSKTSHRSMN1; 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 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 3253/4885MAT2A 2881/4885CTSS 4248/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885MAT2A 2653/4885CTSS 4073/4885

“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.