SCHEMBL19654673

SCHEMBL19654673

c1cnc(-c2ccc(N3c4ccccc4[Si]4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ AVPR2 P30518 1/20 0.33
▸ OXTR P30559 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ PDE6D O43924 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ USP1 O94782 1/20 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
SCHEMBL20347842 0.85 PDE6D (0.40) PDE6DALDH1A1HTTKDM4E
SCHEMBL19654672 0.85 HDAC4 (0.33) CLK4ADRB2AVPR2OXTRAVPR1A
SCHEMBL20347847 0.84 PDE6D (0.40) PDE6DALDH1A1KDM4E
SCHEMBL20689873 0.83 ALDH1A1 (0.33) ALDH1A1HTTHSD17B10
SCHEMBL21702812 0.75 PDE6D (0.37) PDE6DALDH1A1KDM4E
SCHEMBL19654661 0.73 ALDH1A1 (0.35) CLK4ADRB2AVPR2OXTRAVPR1A
SCHEMBL24703330 0.73 NR1H3 (0.39) ALDH1A1HTT
SCHEMBL20347849 0.72 L3MBTL1 (0.35) PDE6DALDH1A1KDM4E
SCHEMBL19654692 0.72 HDAC6 (0.51) CLK4ADRB2AVPR2OXTRAVPR1A
SCHEMBL20347852 0.72 L3MBTL1 (0.37) PDE6DALDH1A1HTTKDM4E

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-10686139-B2 Nitrogen-containing compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-16 — — US disclosed
US-20170346017-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-30 — — US disclosed
US-20170346017-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-30 — — 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 (2 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-20170346017-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME NOM1, NOS1, NPM1 CLK4 3773/4885ADRB2 3707/4885AVPR2 3240/4885
US-10686139-B2 Nitrogen-containing compound and organic electroluminescence device including the same NOM1, NOS1, NPM1 CLK4 3773/4885ADRB2 3707/4885AVPR2 3240/4885

“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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