SCHEMBL429207

SCHEMBL429207

NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
HPGD P15428 4/20 1.00
HTT P42858 4/20 1.00
TDP1 Q9NUW8 2/20 1.00
LMNA P02545 2/20 0.98
GAA P10253 3/20 0.78
NPSR1 Q6W5P4 2/20 0.78
L3MBTL1 Q9Y468 2/20 0.78
KDM4E B2RXH2 2/20 0.78
EEF2K O00418 11/20 0.68
PLA2G1B P04054 1/20 0.68
ATG4B Q9Y4P1 1/20 0.68
MAPT P10636 3/20 0.66
USP2 O75604 1/20 0.63
PTK2B Q14289 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL13941637 0.98 ALDH1A1 (0.96) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4106730 0.85 ALDH1A1 (0.74) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4105366 0.85 ALDH1A1 (0.74) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL13392917 0.85 ALDH1A1 (0.81) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL5958465 0.85 ALDH1A1 (0.74) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL3166845 0.84 ALDH1A1 (0.79) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL13392961 0.84 ALDH1A1 (0.74) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL2853029 0.84 ALDH1A1 (0.73) ALDH1A1HPGDHTTTDP1LMNA
Hydrochloric Acid SCHEMBL4104360 0.84 ALDH1A1 (0.72) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4117723 0.84 ALDH1A1 (0.72) ALDH1A1HPGDHTTTDP1LMNA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2016-06-02 US disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 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
WO-2010099166-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2010-09-02 WO disclosed
US-20100190807-A1 CDKI Pathway inhibitors and uses thereof to regulate expression to TAU protein SENEX BIOTECHNOLOGY, INC. 2010-07-29 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-20090281129-A1 CDKI PATHWAY INHIBITORS AND USES THEREOF SENEX BIOTECHNOLOGY, INC. 2009-11-12 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
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-20080033000-A1 Identification of CDKI pathway inhibitors SENEX BIOTECHNOLOGY, INC. 2008-02-07 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 (6 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 367/4885HPGD 149/4885HTT 4863/4885
US-20100190807-A1 CDKI Pathway inhibitors and uses thereof to regulate expression to TAU protein MAPT, CDK5, CDKN1A ALDH1A1 3956/4885HPGD 2336/4885HTT 292/4885
US-20090281129-A1 CDKI PATHWAY INHIBITORS AND USES THEREOF CDKN1A, CDK6, CCNI ALDH1A1 3833/4885HPGD 1183/4885HTT 930/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885HPGD 205/4885HTT 2588/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ALDH1A1 1271/4885HPGD 188/4885HTT 2608/4885
US-20080033000-A1 Identification of CDKI pathway inhibitors CDKN1A, CDK6, CDK2 ALDH1A1 3133/4885HPGD 1074/4885HTT 1550/4885

“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.