Sugi Predict

Sugi Predict / Compounds / SCHEMBL146879

SCHEMBL146879

SCHEMBL146879

CCOc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4cccnc4)cc3)CCC2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 4/20 0.44
▸ AAK1 Q2M2I8 3/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PKM P14618 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 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
SCHEMBL144344 0.94 ABCB1 (0.45) MAPK1NPC1ABCB1ABCG2ALDH1A1
SCHEMBL147544 0.94 LMNA (0.51) NPC1ABCB1ABCG2ALDH1A1POLB
SCHEMBL146882 0.93 MAPK1 (0.46) MAPK1NPC1ABCB1ABCG2ALDH1A1
Hydrochloric Acid SCHEMBL7650133 0.93 LMNA (0.50) NPC1ABCB1ABCG2ALDH1A1POLB
Hydrochloric Acid SCHEMBL7652761 0.92 MAPK1 (0.45) MAPK1NPC1ABCB1ABCG2ALDH1A1
SCHEMBL14402994 0.92 ABCB1 (0.44) ABCB1ABCG2ALDH1A1POLBLMNA
SCHEMBL6587589 0.91 ALDH1A1 (0.52) ALDH1A1POLBLMNACYP1A2MAPT
SCHEMBL6601230 0.90 HTT (0.47) MAPK1ALDH1A1POLBLMNAPKM
SCHEMBL6602631 0.90 ABCG2 (0.48) MAPK1NPC1ABCB1ABCG2ALDH1A1
Hydrochloric Acid SCHEMBL7646217 0.90 HTT (0.47) MAPK1ALDH1A1POLBLMNAPKM

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 25 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-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 — — 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
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
WO-2002072103-A1 USE OF TYPE 4 PHOSPHODIESTERASE INHIBITORS IN MYOCARDIAL DISEASES MERCK PATENT GMBH (DE) 2002-09-19 — — WO claimed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 — — 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-1143944-A3 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-09-11 — — EP disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 — — EP disclosed
WO-2000059484-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2000-10-12 — — WO 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 MAPK1 233/4885NPC1 2593/4885ABCB1 4804/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 MAPK1 233/4885NPC1 2593/4885ABCB1 4804/4885
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases PDE4A, PDE4B, PDE12 MAPK1 2797/4885NPC1 3737/4885ABCB1 1476/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C MAPK1 3574/4885NPC1 3669/4885ABCB1 1138/4885

“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.