SCHEMBL145758

SCHEMBL145758

COc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)CCC2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
PDE4D Q08499 12/20 0.48
PDE4A P27815 11/20 0.48
PDE4B Q07343 9/20 0.48
PDE4C Q08493 9/20 0.48
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL145065 0.93 PDE4A (0.51) PDE5APDE1APDE1BPDE1CPDE4D
Hydrochloric Acid SCHEMBL7646226 0.93 PDE4D (0.50) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6605978 0.92 PDE5A (0.51) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6603434 0.92 LMNA (0.50) PDE4BTSHRSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL147488 0.92 LMNA (0.49) PDE4BTSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL6601657 0.91 RAB9A (0.47) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6602086 0.89 PDE5A (0.49) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6602147 0.89 PDE5A (0.46) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6584543 0.89 PDE5A (0.52) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6602063 0.88 PDE4B (0.52) PDE5APDE1APDE1BPDE1CPDE4D

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 14 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
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
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
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 disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US 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 PDE5A 2251/4885PDE1A 907/4885PDE1B 810/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 PDE5A 2251/4885PDE1A 907/4885PDE1B 810/4885
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases PDE4A, PDE4B, PDE12 PDE5A 7/4885PDE1A 19/4885PDE1B 21/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C PDE5A 7/4885PDE1A 20/4885PDE1B 21/4885

“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.