SCHEMBL21258596

SCHEMBL21258596

N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.37
PTPN5 P54829 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
PDK2 Q15119 2/20 0.33
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
MAT2A P31153 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
AR P10275 3/20 0.32
ALOX5AP P20292 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
SCHEMBL21258604 0.97 KIF11 (0.35) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL20111891 0.94 KIF11 (0.45) KIF11PTPN5RXRARXRGPDK2
SCHEMBL20111873 0.93 KIF11 (0.40) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL20111876 0.93 PTPN5 (0.40) KIF11PTPN5PDK2CYP2C9SCN9A
SCHEMBL21258599 0.92 KIF11 (0.37) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL20111571 0.92 RXRA (0.36) KIF11PTPN5RXRARXRGCYP2C9
SCHEMBL21258763 0.91 ALOX5AP (0.38) KIF11RXRARXRGCYP2C9SCN9A
SCHEMBL21258788 0.91 MAT2A (0.34) KIF11ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL20111872 0.91 PTPN5 (0.40) KIF11PTPN5ALDH1A1MAPTSMN1; SMN2
SCHEMBL21258780 0.91 KIF11 (0.34) KIF11PTPN5ALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 US 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 KIF11 3426/4885PTPN5 4400/4885ALDH1A1 65/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3661/4885PTPN5 3842/4885ALDH1A1 654/4885

“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.