SCHEMBL1322004

SCHEMBL1322004

CCOc1nc(N2CCNCC2)nc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
TSHR P16473 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
GUSB P08236 1/20 0.58
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 8/20 0.53
HPGD P15428 5/20 0.53
HSD17B10 Q99714 3/20 0.53
HIF1A Q16665 1/20 0.49
EEF2K O00418 1/20 0.48
GAA P10253 4/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 5/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
MAPK1 P28482 2/20 0.47

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 0.98 GUSB (0.61) KMT2ATSHRNPSR1GUSBKDM4E
SCHEMBL1322484 0.97 GUSB (0.60) KMT2ATSHRNPSR1GUSBKDM4E
SCHEMBL2614851 0.91 KDM4E (0.51) KMT2ATSHRNPSR1GUSBKDM4E
SCHEMBL2614850 0.88 GUSB (0.48) KMT2ATSHRNPSR1GUSBKDM4E
SCHEMBL2614853 0.84 GUSB (0.66) KMT2ATSHRNPSR1GUSBKDM4E
SCHEMBL2614867 0.83 HTR2C (0.43) KMT2ATSHRNPSR1GUSBKDM4E
SCHEMBL2614848 0.82 GAA (0.56) KMT2ANPSR1GUSBKDM4EALDH1A1
SCHEMBL1323066 0.81 HPGD (0.45) KMT2ATSHRNPSR1GUSBKDM4E
SCHEMBL2614854 0.80 ALDH1A1 (0.55) KMT2ATSHRNPSR1GUSBKDM4E
SCHEMBL1321792 0.75 PIK3CD (0.40) KMT2ATSHRNPSR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-1623987-A1 Fused pyrido[3',2':4,5]thieno[3,2-d]pyrimidines and pyrido[3',2':4,5]furo[3,2-d]pyrimidines Curacyte Discovery GmbH (DE) 2006-02-08 EP claimed
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-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
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
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
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
EP-1623987-A1 Fused pyrido[3',2':4,5]thieno[3,2-d]pyrimidines and pyrido[3',2':4,5]furo[3,2-d]pyrimidines Curacyte Discovery GmbH (DE) 2006-02-08 EP 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 KMT2A 4129/4885TSHR 3534/4885NPSR1 1436/4885
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 KMT2A 3483/4885TSHR 3439/4885NPSR1 1317/4885

“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.