SCHEMBL10068519

SCHEMBL10068519

CCc1cc(N(c2ccc(C#N)cc2)c2ccc(C(C)(C)C)cc2)c2ccc3c(CC)cc(N(c4ccc(C#N)cc4)c4ccc(C(C)(C)C)cc4)c4ccc1c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
EPHX2 P34913 1/20 0.39
MLYCD O95822 1/20 0.35
CYP2A6 P11509 1/20 0.34
CCR9 P51686 1/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
CSNK1D P48730 3/20 0.32
CSNK1G2 P78368 3/20 0.32
CSNK1A1 P48729 1/20 0.32
GSK3B P49841 1/20 0.32
NR1H3 Q13133 1/20 0.32
CACNA1H O95180 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
RORC P51449 2/20 0.31
NR1H4 Q96RI1 2/20 0.31
FNTA P49354 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
SCHEMBL10038693 0.91 KIF11 (0.37) KIF11EPHX2MLYCD
SCHEMBL10068517 0.86 CYP2A6 (0.51) CYP2A6
SCHEMBL10068690 0.86 CYP2A6 (0.43) CYP2A6RORC
SCHEMBL10068694 0.86 PTGDR2 (0.39) CYP2A6RORC
SCHEMBL23802392 0.85 KIF11 (0.46) KIF11EPHX2MLYCDCCR9CSNK1D
SCHEMBL10069122 0.85 KIF11 (0.46) KIF11EPHX2MLYCDCYP2A6CCR9
SCHEMBL10068678 0.84 CYP2A6 (0.35) CYP2A6RORC
SCHEMBL10068518 0.82 USP14 (0.35) CYP2A6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL25005650 0.82 KIF11 (0.44) KIF11EPHX2MLYCDCSNK1DCSNK1G2
SCHEMBL17715228 0.82 CYP2A6 (0.34) MLYCDCYP2A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9923146-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-20 US disclosed
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-10-26 US disclosed
US-20160181527-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-9331285-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2016-05-03 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 US disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 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 (3 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-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 KIF11 3738/4885EPHX2 3257/4885MLYCD 959/4885
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME H1-4, H1-2, H1-0 KIF11 2278/4885EPHX2 3553/4885MLYCD 3140/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 KIF11 2278/4885EPHX2 3553/4885MLYCD 3140/4885

“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.