SCHEMBL19036232

SCHEMBL19036232

O=[N+]([O-])c1ccc2c(c1)n1cnnc1c1nncn21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.54
▸ CYP1A2 P05177 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ KDR P35968 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ GLS O94925 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL9038869 0.79 POLB (0.58) HRH4HRH3ALDH1A1
SCHEMBL10842673 0.73 MAPT (0.45) HRH4HRH3ALDH1A1MAPTPKM
SCHEMBL10841460 0.73 L3MBTL1 (0.48) HRH4HRH3MAPTHPGDLMNA
SCHEMBL9039325 0.72 ALDH1A1 (0.50) HRH4HRH3CYP1A2ALDH1A1FGFR1
SCHEMBL23577365 0.71 HRH4 (0.43) HRH4HRH3ALDH1A1FGFR1MAPT
SCHEMBL30013724 0.71 HRH4 (0.43) HRH4HRH3ALDH1A1FGFR1MAPT
SCHEMBL30979120 0.71 HRH4 (0.46) HRH4HRH3ALDH1A1FGFR1MAPT
SCHEMBL19036234 0.70 HRH4 (0.42) HRH4HRH3TSHR
SCHEMBL19036207 0.70 GRIN2D (0.41) HPGDLMNA
SCHEMBL23576679 0.70 PARP1 (0.46) HRH4HRH3CYP1A2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9859506-B2 Organic electroluminescent compound and organic photoelectric apparatus thereof Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-01-02 — — US disclosed
US-20170186972-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC PHOTOELECTRIC APPARATUS THEREOF Shanghai Tianma AM-OLED Co., Ltd. 2017-06-29 — — US disclosed
US-20170186972-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC PHOTOELECTRIC APPARATUS THEREOF Shanghai Tianma AM-OLED Co., Ltd. 2017-06-29 — — 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-20170186972-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC PHOTOELECTRIC APPARATUS THEREOF CCNL2, C1S, CCNE2 HRH4 926/4885HRH3 815/4885CYP1A2 502/4885

“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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