SCHEMBL10069238

SCHEMBL10069238

Cc1cc2ccc3c(N(c4ccccc4)c4ccc(C#N)cc4)ccc4ccc(c1N(c1ccccc1)c1ccc(C#N)cc1)c2c43

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KDM1A O60341 2/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
KCNN4 O15554 1/20 0.31
KCNA5 P22460 1/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
ATM Q13315 2/20 0.31
ALOX5 P09917 1/20 0.30
PTGS2 P35354 1/20 0.30
TSHR P16473 1/20 0.30
SCN9A Q15858 2/20 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
SCHEMBL10069233 0.93 CA1 (0.38) PTGDR2CA1CA2ABCG2CRHBP
SCHEMBL10038745 0.92 PTGDR2 (0.30) PTGDR2
SCHEMBL25585717 0.87 TSHR (0.39) PTGDR2CA1CA2ABCG2CRHBP
SCHEMBL179175 0.87 TSHR (0.39) PTGDR2CA1CA2ABCG2CRHBP
SCHEMBL30666022 0.87 TSHR (0.39) PTGDR2CA1CA2ABCG2CRHBP
SCHEMBL10068523 0.87 PTGDR2 (0.34) PTGDR2CA1CA2ABCG2CRHBP
SCHEMBL10069228 0.87 CRHBP (0.35) PTGDR2CA1CA2ABCG2CRHBP
SCHEMBL10038744 0.84 ABCG2 (0.32) PTGDR2CA1CA2ABCG2KDM1A
SCHEMBL15137913 0.83 CRHBP (0.37) PTGDR2CA1CA2ABCG2CRHBP
SCHEMBL17933038 0.82 ABCG2 (0.40) PTGDR2ABCG2CRHBPCRHR2KDM1A

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 PTGDR2 3188/4885CA1 945/4885CA2 1264/4885
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME H1-4, H1-2, H1-0 PTGDR2 3624/4885CA1 2843/4885CA2 2712/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 PTGDR2 3624/4885CA1 2843/4885CA2 2712/4885

“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.