Sugi Predict

Sugi Predict / Compounds / SCHEMBL145502

SCHEMBL145502

SCHEMBL145502

COc1ccc(C2=NN(CCc3ccc(NC(=O)c4cccnc4)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.56
▸ ABCB1 P08183 3/20 0.56
▸ MAPK1 P28482 2/20 0.47
▸ AAK1 Q2M2I8 3/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ LMNA P02545 3/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL144459 0.93 ABCB1 (0.50) ABCG2ABCB1MAPK1AAK1PDE4B
SCHEMBL6685828 0.90 LMNA (0.51) ABCG2ABCB1MAPK1PDE4BSMN1; SMN2
SCHEMBL6656041 0.88 ABCG2 (0.47) ABCG2ABCB1PDE4BSMN1; SMN2LMNA
SCHEMBL144965 0.87 ABCG2 (0.59) ABCG2ABCB1MAPK1AAK1PDE4B
SCHEMBL6662258 0.87 FLT1 (0.45) ABCG2ABCB1MAPK1PDE4BSMN1; SMN2
SCHEMBL147713 0.87 ABCG2 (0.57) ABCG2ABCB1MAPK1AAK1PDE4B
SCHEMBL146176 0.87 PDE4B (0.50) ABCG2ABCB1MAPK1AAK1PDE4B
SCHEMBL6844104 0.86 FLT1 (0.43) ABCG2ABCB1MAPK1PDE4BSMN1; SMN2
SCHEMBL6659877 0.86 SMN1; SMN2 (0.52) ABCG2ABCB1PDE4BSMN1; SMN2MAPT
SCHEMBL6662743 0.85 TSHR (0.52) MAPK1PDE4BSMN1; SMN2MAPTHTT

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 22 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
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 — — WO 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-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 ABCG2 4770/4885ABCB1 4804/4885MAPK1 233/4885
US-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B ABCG2 952/4885ABCB1 1255/4885MAPK1 1267/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 ABCG2 4770/4885ABCB1 4804/4885MAPK1 233/4885
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases PDE4A, PDE4B, PDE12 ABCG2 2694/4885ABCB1 1476/4885MAPK1 2797/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C ABCG2 1594/4885ABCB1 1138/4885MAPK1 3574/4885

“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.