SCHEMBL20727202

SCHEMBL20727202

CCN(c1c(C)c(Br)cc2[nH]ncc12)C1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.34
▸ EZH2 Q15910 11/20 0.34
▸ EED O75530 10/20 0.34
▸ RBBP4 Q09028 10/20 0.34
▸ SUZ12 Q15022 10/20 0.34
▸ AEBP2 Q6ZN18 10/20 0.34
▸ EZH1 Q92800 2/20 0.34
▸ KMT2A Q03164 1/20 0.32
▸ IDO1 P14902 4/20 0.32
▸ TDO2 P48775 2/20 0.32
▸ CRHR1 P34998 2/20 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
SCHEMBL20727144 0.82 EZH2 (0.34) PDE4BEZH2EEDRBBP4SUZ12
SCHEMBL20727222 0.80 GRIN2B (0.35) —
SCHEMBL20727230 0.80 S1PR1 (0.34) EZH2EZH1
SCHEMBL20727204 0.76 EZH2 (0.35) PDE4BEZH2EEDRBBP4SUZ12
SCHEMBL20727150 0.73 PDE4B (0.33) PDE4BEZH2EEDRBBP4SUZ12
SCHEMBL20727201 0.71 PDE4B (0.46) PDE4BIDO1TDO2
SCHEMBL28466809 0.71 EZH2 (0.41) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL20727206 0.69 EZH2 (0.33) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL27074905 0.68 JAK2 (0.33) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL20160784 0.65 EZH2 (0.35) EZH2EEDRBBP4SUZ12AEBP2

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-20200262812-A1 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-08-20 — — US disclosed
EP-3441388-A1 4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2019-02-13 — — EP 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-20200262812-A1 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES CYP3A4, CYP4B1, CYP3A7 PDE4B 185/4885EZH2 1830/4885EED 4737/4885

“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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