SCHEMBL20463563

SCHEMBL20463563

CN1CCN(c2cncc3c2cc(OBO)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.38
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ GPR119 Q8TDV5 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ KIT P10721 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ SMARCA2 P51531 1/20 0.31
▸ SMARCA4 P51532 1/20 0.31

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
SCHEMBL18483132 0.84 CYP11B2 (0.41) CYP11B2GABRG2GABRB3GABRA5TLR9
SCHEMBL18441912 0.81 CYP11B2 (0.39) CYP11B2GABRG2GABRB3GABRA5TLR9
SCHEMBL20435586 0.80 HRH4 (0.38) GABRG2GABRB3GABRA5TLR9TLR7
SCHEMBL20409205 0.78 IDE (0.36) TLR9TLR7GPR119MAPTKIT
SCHEMBL18477080 0.75 CYP11B2 (0.39) CYP11B2GABRG2GABRB3GABRA5GPR119
SCHEMBL20436874 0.74 CHRM2 (0.39) GABRG2GABRB3GABRA5GPR119MAPT
SCHEMBL18442918 0.73 CYP11B2 (0.43) CYP11B2GPR119MAPTCDK8CHEK1
SCHEMBL20463562 0.72 DYRK1A (0.46) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL18447717 0.71 CYP11B2 (0.39) CYP11B2GABRG2GABRB3GABRA5GPR119
SCHEMBL20435588 0.70 NR1H2 (0.36) GABRG2GABRB3GABRA5GPR119GABRA1

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-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-09 — — US disclosed
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-08-09 — — 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-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 CYP11B2 2286/4885GABRG2 4340/4885GABRB3 2648/4885
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A CYP11B2 2681/4885GABRG2 4499/4885GABRB3 3350/4885

“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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