SCHEMBL2614831

SCHEMBL2614831

N#Cc1c(N)sc(=S)c2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 1.00
MAPT P10636 12/20 1.00
MEN1 O00255 11/20 1.00
KMT2A Q03164 11/20 1.00
HSD17B10 Q99714 8/20 1.00
CASP1 P29466 6/20 1.00
POLB P06746 3/20 1.00
PABPC1 P11940 1/20 1.00
KDM4E B2RXH2 10/20 0.96
HPGD P15428 8/20 0.96
TDP1 Q9NUW8 4/20 0.96
RECQL P46063 2/20 0.96
L3MBTL1 Q9Y468 2/20 0.96
BPTF Q12830 3/20 0.62
GAA P10253 8/20 0.61
ALOX15 P16050 6/20 0.61
MAPK1 P28482 3/20 0.61
CASP7 P55210 4/20 0.55
ALOX12 P18054 2/20 0.53
THRB P10828 2/20 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
SCHEMBL5011418 0.78 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL620749 0.77 BPTF (1.00) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL4051254 0.76 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL1719516 0.76 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL31381502 0.76 BPTF (0.96) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL4045538 0.74 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL1514467 0.73 BPTF (0.92) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL4709484 0.72 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL4218522 0.70 KRAS (0.56) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL3765697 0.68 BPTF (0.54) ALDH1A1MAPTMEN1KMT2AHSD17B10

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
US-8569356-B2 Cyclin dependent kinase inhibitors UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-10-29 US claimed
WO-2007050673-A2 CYCLIN DEPENDENT KINASE INHIBITORS UNIVERSITY OF FLORIDA (US) 2007-05-03 WO claimed
WO-2018142365-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-08-09 WO disclosed
WO-2018017874-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-01-25 WO disclosed
US-8569356-B2 Cyclin dependent kinase inhibitors UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-10-29 US disclosed
US-8569356-B2 Cyclin dependent kinase inhibitors UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-10-29 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-20100035940-A1 Cyclin Dependent Kinase Inhibitors UNIVERSITY OF FLORDIA RESEARCH FOUNDATION (US) 2010-02-11 US disclosed
US-20100035940-A1 Cyclin Dependent Kinase Inhibitors UNIVERSITY OF FLORDIA RESEARCH FOUNDATION (US) 2010-02-11 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 (3 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 ALDH1A1 367/4885MAPT 3668/4885MEN1 4033/4885
US-20100035940-A1 Cyclin Dependent Kinase Inhibitors CCNI, CCNK, CDK1 ALDH1A1 3139/4885MAPT 3256/4885MEN1 2600/4885
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 ALDH1A1 445/4885MAPT 3397/4885MEN1 4158/4885

“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.