SCHEMBL20435586

SCHEMBL20435586

CN1CCN(c2nccc3c2cc(OBO)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.38
▸ KIT P10721 2/20 0.38
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ HTR1A P08908 8/20 0.35
▸ HTR1D P28221 8/20 0.35
▸ HTR1B P28222 8/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ ACHE P22303 2/20 0.34

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
SCHEMBL18478102 0.84 HRH4 (0.41) HRH4KITTLR9TLR7HTR1A
SCHEMBL20409205 0.83 IDE (0.36) HRH4KITTLR9TLR7HTR1A
SCHEMBL18437140 0.82 HRH4 (0.39) HRH4KITTLR9TLR7HTR1A
SCHEMBL20463563 0.80 CYP11B2 (0.38) KITTLR9TLR7GABRG2GABRB3
SCHEMBL20435587 0.76 GABRG2 (0.36) GABRG2GABRB3GABRA5
SCHEMBL18485086 0.76 KDM4E (0.39) KITGABRG2GABRB3GABRA5
SCHEMBL18437191 0.76 HRH4 (0.43) HRH4KITTLR9TLR7HTR1A
SCHEMBL20436874 0.73 CHRM2 (0.39) GABRG2GABRB3GABRA5
SCHEMBL20435585 0.73 MAP2K4 (0.37) GABRG2GABRB3GABRA5ACHE
SCHEMBL18437165 0.72 TSHR (0.39) KITGABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221341-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-09 — — US disclosed
US-20180221350-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2018-08-09 — — US disclosed
US-20180214429-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-08-02 — — US disclosed
US-20180214427-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-02 — — 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 (4 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-20180214429-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A HRH4 2732/4885KIT 778/4885TLR9 4496/4885
US-20180214427-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A HRH4 3066/4885KIT 641/4885TLR9 4488/4885
US-20180221350-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A HRH4 3617/4885KIT 823/4885TLR9 4713/4885
US-20180221341-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 HRH4 3195/4885KIT 651/4885TLR9 4454/4885

“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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