SCHEMBL22492346

SCHEMBL22492346

CC(C)(C)OC(=O)N1CCc2c(n[nH]c2N)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.50
NR1H2 P55055 2/20 0.47
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
F12 P00748 3/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ESR2 Q92731 1/20 0.42
MAPK1 P28482 1/20 0.39
C5AR1 P21730 1/20 0.37
P2RX3 P56373 1/20 0.37
MTOR P42345 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24209760 0.91 ADORA1 (0.45) ADORA1NR1H2PARP1TNKS2PARP2
SCHEMBL22492311 0.90 ADORA1 (0.47) ADORA1NR1H2PARP1TNKS2PARP2
SCHEMBL3480008 0.88 NR1H2 (0.40) ADORA1NR1H2PARP1TNKS2PARP2
SCHEMBL23794808 0.85 PARP1 (0.46) ADORA1NR1H2PARP1TNKS2PARP2
SCHEMBL24209724 0.85 ADORA1 (0.43) ADORA1NR1H2PARP1TNKS2PARP2
SCHEMBL22074889 0.84 PARP1 (0.45) ADORA1NR1H2PARP1TNKS2PARP2
SCHEMBL5070051 0.83 ADORA1 (0.49) ADORA1NR1H2PARP1TNKS2PARP2
SCHEMBL23794846 0.82 PARP1 (0.44) ADORA1NR1H2PARP1TNKS2PARP2
SCHEMBL14031886 0.80 PARP1 (0.42) ADORA1NR1H2PARP1TNKS2PARP2
SCHEMBL17317969 0.79 ADORA1 (0.50) ADORA1NR1H2PARP1TNKS2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2022-07-07 US disclosed
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2022-07-07 US disclosed
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases THE ROCKEFELLER UNIVERSITY (US) 2022-04-26 US disclosed
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases THE ROCKEFELLER UNIVERSITY (US) 2022-04-26 US disclosed
US-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2020-11-26 US disclosed
US-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2020-11-26 US disclosed
EP-3716972-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2020-10-07 EP disclosed
CN-111670034-A Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases 洛克菲勒大学 2020-09-15 CN 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 (3 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-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 ADORA1 2911/4885NR1H2 3869/4885PARP1 1296/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 ADORA1 2911/4885NR1H2 3869/4885PARP1 1296/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 ADORA1 2911/4885NR1H2 3869/4885PARP1 1296/4885

“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.