SCHEMBL22492714

SCHEMBL22492714

O=C(O)C1CCNc2c(F)cccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F12 P00748 13/20 0.45
F2 P00734 1/20 0.45
PTPN7 P35236 1/20 0.43
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL19644353 0.81 F12 (0.50) F12F2
SCHEMBL19644218 0.81 F12 (0.50) F12F2
SCHEMBL9724955 0.81 CDC25B (0.43) F12ALDH1A1
SCHEMBL22492441 0.81 F12 (0.48) F12PTPN7ALDH1A1SLC6A2SLC6A4
SCHEMBL22492362 0.79 F12 (0.47) F12F2
SCHEMBL15717438 0.78 TAS1R3 (0.40) F12F2PTPN7HTR1ASLC6A2
SCHEMBL22492639 0.78 F2 (0.48) F12F2PTPN7ALDH1A1HTR1A
SCHEMBL30899479 0.73 ALDH1A1 (0.54) F12F2ALDH1A1
SCHEMBL768982 0.73 ALDH1A1 (0.54) F12F2ALDH1A1
SCHEMBL30020668 0.73 ALDH1A1 (0.54) F12F2ALDH1A1

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 F12 14/4885F2 6/4885PTPN7 1100/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 F12 14/4885F2 6/4885PTPN7 1100/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 F12 14/4885F2 6/4885PTPN7 1100/4885

“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.