SCHEMBL30366118

SCHEMBL30366118

CC(C)(C)OC(=O)N1CCN(c2cnc(C3=CCN(C(=O)OCc4ccccc4)CC3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.51
▸ GRM1 Q13255 8/20 0.51
▸ CKS1B P61024 2/20 0.48
▸ SKP1 P63208 2/20 0.48
▸ SKP2 Q13309 2/20 0.48
▸ GPR119 Q8TDV5 2/20 0.45
▸ LNPEP Q9UIQ6 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ WNT3A P56704 1/20 0.43

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
SCHEMBL30899642 1.00 GRM5 (0.51) GRM5GRM1CKS1BSKP1SKP2
SCHEMBL30899634 0.88 GRM1 (0.52) GRM5GRM1GPR119LNPEPPDK4
SCHEMBL30366121 0.88 GRM1 (0.52) GRM5GRM1GPR119LNPEPPDK4
SCHEMBL30366420 0.82 NAMPT (0.52) GRM5GRM1GPR119LNPEPPDK4
SCHEMBL30913564 0.79 GRM1 (0.56) GRM5GRM1GPR119PDK4WNT3A
SCHEMBL4006887 0.79 GRM1 (0.56) GRM5GRM1GPR119PDK4WNT3A
SCHEMBL25200238 0.79 GRM1 (0.49) GRM5GRM1GPR119PDK4WNT3A
SCHEMBL30899652 0.79 GRM5 (0.44) GRM5GRM1CKS1BSKP1SKP2
SCHEMBL30365846 0.79 GRM5 (0.44) GRM5GRM1CKS1BSKP1SKP2
SCHEMBL31198740 0.79 GRM5 (0.52) GRM5GRM1LNPEPMEN1KMT2A

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-20240360126-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2024-10-31 — — US disclosed
EP-4405051-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-07-31 — — EP disclosed
WO-2023046806-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-03-30 — — WO 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-20240360126-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, TPMT, KCNB2 GRM5 2804/4885GRM1 1870/4885CKS1B 1227/4885

“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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