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SCHEMBL143125

SCHEMBL143125

CCC1SC(=O)N(Cc2ccc(NC(=O)c3cccnc3)cc2)N=C1c1ccc(OC)c(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.46
▸ PDE4A P27815 3/20 0.42
▸ PDE4B Q07343 3/20 0.42
▸ PDE4C Q08493 3/20 0.42
▸ PDE4D Q08499 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ AAK1 Q2M2I8 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL145110 0.97 ABL1 (0.46) ABL1PDE4APDE4BPDE4CPDE4D
SCHEMBL141749 0.94 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL6684019 0.92 ABL1 (0.44) ABL1PDE4APDE4BPDE4CPDE4D
SCHEMBL146167 0.91 NPC1 (0.42) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL142287 0.91 LMNA (0.44) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL145100 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL144870 0.90 ABCB1 (0.44) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL6657798 0.89 NPC1 (0.45) ABL1PDE4APDE4BPDE4CPDE4D
SCHEMBL6660569 0.89 PDE4D (0.41) ABL1PDE4APDE4BPDE4CPDE4D
SCHEMBL6689759 0.89 ABL1 (0.44) ABL1PDE4APDE4BPDE4CPDE4D

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 17 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
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 — — US disclosed
EP-1463509-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GmbH (DE) 2004-10-06 — — EP disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 — — EP disclosed
EP-1368035-A1 USE OF TYPE 4 PHOSPHODIESTERASE INHIBITORS IN MYOCARDIAL DISEASES MERCK PATENT GmbH (DE) 2003-12-10 — — EP disclosed
WO-2003037349-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2003-05-08 — — WO disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 — — WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 — — EP disclosed
WO-2002072103-A1 USE OF TYPE 4 PHOSPHODIESTERASE INHIBITORS IN MYOCARDIAL DISEASES MERCK PATENT GMBH (DE) 2002-09-19 — — WO disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 — — US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 — — 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 (5 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 ABL1 3687/4885PDE4A 1401/4885PDE4B 1040/4885
US-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B ABL1 4398/4885PDE4A 1/4885PDE4B 4/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 ABL1 3687/4885PDE4A 1401/4885PDE4B 1040/4885
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases PDE4A, PDE4B, PDE12 ABL1 1991/4885PDE4A 1/4885PDE4B 2/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C ABL1 1751/4885PDE4A 1/4885PDE4B 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.