SCHEMBL16939626

SCHEMBL16939626

N#Cc1ccc(-c2nc(-c3cccc(Br)c3)cc(-c3cccc(Br)c3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ ABCG2 Q9UNQ0 6/20 0.49
▸ ABCB1 P08183 4/20 0.46
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ METAP2 P50579 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HK1 P19367 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL16939625 0.96 ABCG2 (0.49) CTSSCTSKABCG2ABCB1ADORA2A
SCHEMBL16939640 0.94 ABCG2 (0.48) CTSSCTSKABCG2ABCB1ADORA2A
SCHEMBL16939636 0.93 ABCG2 (0.47) CTSSCTSKABCG2ABCB1ADORA2A
SCHEMBL16939628 0.84 ABCG2 (0.56) ABCG2ABCB1ALDH1A1HPGDKDM4E
SCHEMBL9881180 0.84 CLK4 (0.50) CTSSCTSKABCG2ADORA2AADORA1
SCHEMBL22549336 0.84 ABCG2 (0.56) ABCG2ABCB1ALDH1A1HPGDKDM4E
SCHEMBL16939622 0.83 AHR (0.51) ABCG2ABCB1ALDH1A1HPGDKDM4E
SCHEMBL22534545 0.83 ABCG2 (0.47) ABCG2ABCB1ALDH1A1KDM4ELMNA
SCHEMBL16939642 0.82 AHR (0.45) ABCG2ABCB1ALDH1A1KDM4ELMNA
SCHEMBL22549272 0.81 CYP1A2 (0.44) ABCG2ABCB1ADORA2AADORA1ALDH1A1

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-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-07-30 — — US disclosed
US-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-07-30 — — 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 (1 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-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLCO1A2 CTSS 3482/4885CTSK 4016/4885ABCG2 165/4885

“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.

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