SCHEMBL10068518

SCHEMBL10068518

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP14 P54578 1/20 0.35
CYP2A6 P11509 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
RORC P51449 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
S1PR1 P21453 1/20 0.32
F2R P25116 1/20 0.32
PANK3 Q9H999 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL10038692 0.91 USP14 (0.31) USP14
SCHEMBL10068694 0.86 PTGDR2 (0.39) CYP2A6RORCMEN1KMT2A
SCHEMBL10068690 0.86 CYP2A6 (0.43) USP14CYP2A6RORCKDM1A
SCHEMBL10068517 0.86 CYP2A6 (0.51) CYP2A6KDM1A
SCHEMBL10069125 0.85 USP14 (0.32) USP14S1PR1PANK3
SCHEMBL10068680 0.85 S1PR1 (0.36) USP14CYP2A6S1PR1PANK3
SCHEMBL10068678 0.84 CYP2A6 (0.35) CYP2A6RORC
SCHEMBL14463259 0.83 AR (0.32)
SCHEMBL10068519 0.82 KIF11 (0.44) CYP2A6RORCABCC9ABCC8KCNJ11
SCHEMBL17715228 0.82 CYP2A6 (0.34) CYP2A6

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 USP14 4650/4885CYP2A6 1167/4885PSEN1 1276/4885
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME H1-4, H1-2, H1-0 USP14 4436/4885CYP2A6 3351/4885PSEN1 2939/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 USP14 4436/4885CYP2A6 3351/4885PSEN1 2939/4885

“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.