SCHEMBL16965308

SCHEMBL16965308

COC(=O)c1ccnc2c(OC)cccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.68
▸ KDM4E B2RXH2 3/20 0.60
▸ SLC40A1 Q9NP59 2/20 0.56
▸ HTR1A P08908 2/20 0.56
▸ ADRA1D P25100 2/20 0.56
▸ ADRA1A P35348 2/20 0.56
▸ ADRA1B P35368 2/20 0.56
▸ PDE4A P27815 3/20 0.52
▸ PDE4B Q07343 3/20 0.52
▸ PDE4C Q08493 3/20 0.52
▸ PDE4D Q08499 3/20 0.52
▸ MAPT P10636 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.46
▸ MAP2K1 Q02750 1/20 0.46
▸ KDM4A O75164 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ HIF1AN Q9NWT6 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 1/20 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
SCHEMBL20952065 0.88 KDM4E (0.77) PSMD14KDM4ESLC40A1HTR1AADRA1D
SCHEMBL16964770 0.86 KDM4E (0.62) PSMD14KDM4ESLC40A1HTR1AADRA1D
SCHEMBL25256146 0.86 MEN1 (0.61) KDM4EMAPT
SCHEMBL69886 0.86 PSMD14 (0.73) PSMD14KDM4ESLC40A1MAP2K1KDM4A
SCHEMBL10383135 0.83 KDM4E (0.78) PSMD14KDM4ESLC40A1MAPTMAP2K1
SCHEMBL19642874 0.83 PSMD14 (0.69) PSMD14KDM4ESLC40A1HTR1AADRA1D
SCHEMBL31424218 0.83 KDM4E (0.78) PSMD14KDM4ESLC40A1MAPTMAP2K1
SCHEMBL11973493 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1MAPTMAP2K1
SCHEMBL7654796 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1PDE4APDE4B
SCHEMBL22492423 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1MAPTMAP2K1

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 11 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
EP-2900239-B1 DIHYDRO-6-AZAPHENALENE DERIVATIVES FOR THE TREATMENT OF CNS, OCULAR DISEASES AND RELATED DISORDERS WARNER BABCOCK INST FOR GREEN CHEMISTRY LLC (US) 2019-03-20 — — EP disclosed
EP-2900239-B1 DIHYDRO-6-AZAPHENALENE DERIVATIVES FOR THE TREATMENT OF CNS, OCULAR DISEASES AND RELATED DISORDERS WARNER BABCOCK INST FOR GREEN CHEMISTRY LLC (US) 2019-03-20 — — EP disclosed
EP-2900239-A1 DIHYDRO-6-AZAPHENALENE DERIVATIVES FOR THE TREATMENT OF CNS, ONCOLOGICAL DISEASES AND RELATED DISORDERS The Warner-Babcock Institute For Green Chemistry LLC (US) 2015-08-05 — — EP 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.

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