SCHEMBL20409205

SCHEMBL20409205

CN1CCN(c2ccnc3c2cc(OBO)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDE P14735 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACHE P22303 2/20 0.35
▸ GPR119 Q8TDV5 4/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ CLK1 P49759 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ RET P07949 1/20 0.33
▸ KIT P10721 2/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMARCA2 P51531 1/20 0.32
▸ SMARCA4 P51532 1/20 0.32
▸ PBRM1 Q86U86 1/20 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
SCHEMBL18480157 0.84 IDE (0.40) IDEMEN1KMT2AACHEGPR119
SCHEMBL20435586 0.83 HRH4 (0.38) ACHETLR9TLR7HTR1AHTR1D
SCHEMBL18441089 0.81 IDE (0.37) IDEMEN1KMT2AACHEGPR119
SCHEMBL20463563 0.78 CYP11B2 (0.38) MEN1KMT2AGPR119TLR9TLR7
SCHEMBL18479999 0.76 CHKA (0.37) IDEMEN1KMT2AACHEGPR119
SCHEMBL20409198 0.76 NR1H2 (0.38) ACHEGPR119
SCHEMBL18441330 0.75 ACHE (0.39) IDEMEN1KMT2AACHEGPR119
SCHEMBL20409197 0.74 POLB (0.38) MEN1KMT2AGPR119
SCHEMBL20409196 0.73 TOP2A (0.40) —
SCHEMBL20436874 0.72 CHRM2 (0.39) MEN1KMT2AGPR119MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207141-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-26 — — 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-20180207141-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A IDE 1854/4885MEN1 4470/4885KMT2A 4456/4885

“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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