SCHEMBL2614848

SCHEMBL2614848

CCOc1nc(Cl)nc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
LMNA P02545 3/20 0.56
EEF2K O00418 1/20 0.55
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 8/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 2/20 0.55
THRB P10828 1/20 0.54
HIF1A Q16665 2/20 0.53
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.51
RAD52 P43351 1/20 0.51
POLB P06746 1/20 0.51
GUSB P08236 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL2614849 0.84 GUSB (0.61) GAALMNAEEF2KKDM4EALDH1A1
SCHEMBL1322484 0.83 GUSB (0.60) GAALMNAEEF2KKDM4EALDH1A1
SCHEMBL2614847 0.83 LMNA (0.61) GAALMNAEEF2KKDM4EALDH1A1
SCHEMBL1322004 0.82 KMT2A (0.62) GAALMNAEEF2KKDM4EALDH1A1
SCHEMBL2614852 0.79 GUSB (0.73) GAALMNAEEF2KKDM4EALDH1A1
SCHEMBL2614853 0.78 GUSB (0.66) GAALMNAEEF2KKDM4EALDH1A1
SCHEMBL20467141 0.76 ALDH1A1 (0.69) GAALMNAEEF2KKDM4EALDH1A1
SCHEMBL19805199 0.75 EEF2K (0.77) GAALMNAEEF2KKDM4EALDH1A1
SCHEMBL2614851 0.75 KDM4E (0.51) GAALMNAEEF2KKDM4EALDH1A1
SCHEMBL19805178 0.74 GUSB (0.72) GAALMNAEEF2KKDM4EALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 US disclosed
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 US disclosed
US-8058285-B2 Phosphodiesterase-4 (PDE-4) inhibitors; for treating bronchial asthma, COPD, rheumatoid arthritis (RA), osteoarthritis, cystic fibrosis, Guillain-Barresyndrome, Crohn's disease, ulcerative colitis, psoriasis, atopic dermatitis, allergic eczemas THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-11-15 US disclosed
US-8058285-B2 Phosphodiesterase-4 (PDE-4) inhibitors; for treating bronchial asthma, COPD, rheumatoid arthritis (RA), osteoarthritis, cystic fibrosis, Guillain-Barresyndrome, Crohn's disease, ulcerative colitis, psoriasis, atopic dermatitis, allergic eczemas THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-11-15 US disclosed
EP-1773840-B1 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3',2':4,5]FURO[3,2-D]-PYRIMIDINES FOR USE AS INHIBITORS OF PDA-4 AND/OR TNF-ALPHA RELEASE MEDICINES CO LEIPZIG GMBH (DE) 2010-01-20 EP disclosed
US-20080160028-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-ALPHA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2008-07-03 US disclosed
US-20080160028-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-ALPHA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2008-07-03 US disclosed
WO-2006010567-A1 SUBSTITUTED PYRIDO[3', 2': 4, 5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3', 2': 4, 5]FURO[3, 2, D]PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF$G(A) CURACYTE DISCOVERY GMBH (DE) 2006-02-02 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 (2 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-20080160028-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-ALPHA PDE4A, PDE3B, PDE4B GAA 456/4885LMNA 3067/4885EEF2K 3286/4885
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha PDE4A, PDE4B, PDE3B GAA 293/4885LMNA 3299/4885EEF2K 2961/4885

“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.