SCHEMBL22492423

SCHEMBL22492423

COC(=O)c1ccnc2c(F)cccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.68
KDM4E B2RXH2 5/20 0.58
SLC40A1 Q9NP59 2/20 0.56
MAP2K1 Q02750 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
RAB9A P51151 2/20 0.45
KDM4A O75164 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
HIF1AN Q9NWT6 1/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
CDK1 P06493 2/20 0.45
CSF1R P07333 2/20 0.45
CDK2 P24941 2/20 0.45
FLT4 P35916 2/20 0.45
CLK2 P49760 2/20 0.45
MAPK12 P53778 2/20 0.45
CSNK2A1 P68400 2/20 0.45
CDK5 Q00535 2/20 0.45
STK3 Q13188 2/20 0.45

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
SCHEMBL69886 0.86 PSMD14 (0.73) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL19642874 0.83 PSMD14 (0.69) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL10383135 0.83 KDM4E (0.78) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL31424218 0.83 KDM4E (0.78) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL2379491 0.83 L3MBTL1 (0.49) PSMD14KDM4ESLC40A1L3MBTL1RAB9A
SCHEMBL22492328 0.82 PSMD14 (0.64) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL7377364 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL11973493 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL7654796 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL19642938 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1

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 PSMD14 2382/4885KDM4E 3175/4885SLC40A1 3092/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 PSMD14 2382/4885KDM4E 3175/4885SLC40A1 3092/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 PSMD14 2382/4885KDM4E 3175/4885SLC40A1 3092/4885

“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.