SCHEMBL145649

SCHEMBL145649

CCC1OC(=O)N(Cc2ccc(NC(=O)c3cccnc3)cc2)N=C1c1ccc(OC(F)(F)F)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.46
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL144888 0.97 ABL1 (0.46) ABL1ABCB1ABCG2NPC1SMN1; SMN2
SCHEMBL139804 0.94 NPC1 (0.46) ABCB1ABCG2NPC1SMN1; SMN2RAB9A
SCHEMBL6685841 0.92 LMNA (0.44) ABL1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL144599 0.91 ABCB1 (0.44) ABCB1ABCG2NPC1SMN1; SMN2RAB9A
SCHEMBL148509 0.91 ABCB1 (0.44) ABCB1ABCG2NPC1SMN1; SMN2RAB9A
SCHEMBL143157 0.90 ABCB1 (0.43) ABCB1ABCG2NPC1SMN1; SMN2RAB9A
SCHEMBL147782 0.89 NPC1 (0.42) ABCB1ABCG2NPC1SMN1; SMN2RAB9A
SCHEMBL6842232 0.89 NPC1 (0.45) ABL1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL144775 0.89 SMN1; SMN2 (0.44) ABCB1ABCG2NPC1SMN1; SMN2RAB9A
SCHEMBL6683561 0.89 LMNA (0.44) ABL1NPC1SMN1; SMN2RAB9AMAPT

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 21 patents — showing the first 20. 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-1463509-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GmbH (DE) 2004-10-06 EP claimed
EP-1368035-A1 USE OF TYPE 4 PHOSPHODIESTERASE INHIBITORS IN MYOCARDIAL DISEASES MERCK PATENT GmbH (DE) 2003-12-10 EP claimed
WO-2003037349-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2003-05-08 WO claimed
WO-2002072103-A1 USE OF TYPE 4 PHOSPHODIESTERASE INHIBITORS IN MYOCARDIAL DISEASES MERCK PATENT GMBH (DE) 2002-09-19 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
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-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 3687/4885ABCB1 4804/4885ABCG2 4770/4885
US-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B ABL1 4398/4885ABCB1 1255/4885ABCG2 952/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 ABL1 3687/4885ABCB1 4804/4885ABCG2 4770/4885
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases PDE4A, PDE4B, PDE12 ABL1 1991/4885ABCB1 1476/4885ABCG2 2694/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C ABL1 1751/4885ABCB1 1138/4885ABCG2 1594/4885

“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.