Sugi Predict

Sugi Predict / Compounds / SCHEMBL145065

SCHEMBL145065

SCHEMBL145065

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4cccnc4)cc3)CCC2)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 9/20 0.51
▸ PDE4D Q08499 9/20 0.51
▸ PDE4B Q07343 8/20 0.51
▸ PDE4C Q08493 8/20 0.51
▸ PDE5A O76074 1/20 0.46
▸ PDE1A P54750 1/20 0.46
▸ PDE1B Q01064 1/20 0.46
▸ PDE1C Q14123 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 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
Hydrochloric Acid SCHEMBL7646226 0.99 PDE4D (0.50) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL145758 0.93 PDE5A (0.49) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL147544 0.92 LMNA (0.51) PDE4BALDH1A1MAPTNPC1GAA
Hydrochloric Acid SCHEMBL7650133 0.91 LMNA (0.50) PDE4BALDH1A1MAPTNPC1GAA
SCHEMBL6602010 0.91 PDE4B (0.52) PDE4APDE4DPDE4BPDE4CPDE5A
Hydrochloric Acid SCHEMBL7649060 0.90 PDE4B (0.51) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6601874 0.90 ABCG2 (0.47) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6600681 0.89 PDE4D (0.47) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6602284 0.88 PDE4D (0.51) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6600972 0.88 PDE5A (0.53) PDE4APDE4DPDE4BPDE4CPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases MERK PANTENT GMBH (DE) 2005-03-31 — — US claimed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 — — US claimed
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 — — EP claimed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 — — US claimed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 — — US claimed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 — — EP claimed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 — — WO claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 — — US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 — — US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 — — US disclosed
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases MERK PANTENT GMBH (DE) 2005-03-31 — — US disclosed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 — — US disclosed
EP-1463509-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GmbH (DE) 2004-10-06 — — EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 — — WO disclosed
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 — — EP disclosed
WO-2003037349-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2003-05-08 — — WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 — — WO disclosed
CN-1355702-A Use of arylalkanoylpyridazines MERCK PATENT GMBH (DE) 2002-06-26 — — CN disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 — — EP disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 — — 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 (4 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 PDE4A 1401/4885PDE4D 1229/4885PDE4B 1040/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 PDE4A 1401/4885PDE4D 1229/4885PDE4B 1040/4885
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4D 4/4885PDE4B 2/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4D 4/4885PDE4B 2/4885

“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.