SCHEMBL424777

SCHEMBL424777

CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(=O)[nH]cnc4c23)CO1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
KDM4E B2RXH2 5/20 0.74
HIF1A Q16665 2/20 0.74
HPGD P15428 1/20 0.74
TSHR P16473 1/20 0.71
HSD17B10 Q99714 1/20 0.71
NPSR1 Q6W5P4 3/20 0.61
RXFP1 Q9HBX9 2/20 0.61
ADRB2 P07550 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
PDE4B Q07343 8/20 0.60
PDE4A P27815 5/20 0.60
PDE4D Q08499 5/20 0.60
POLB P06746 2/20 0.57
MC4R P32245 1/20 0.56
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL5011421 0.93 ALDH1A1 (0.67) ALDH1A1KDM4EHIF1AHPGDTSHR
SCHEMBL5015893 0.92 ALDH1A1 (0.66) ALDH1A1KDM4EHIF1AHPGDTSHR
SCHEMBL5015896 0.91 ALDH1A1 (0.61) ALDH1A1KDM4EHIF1AHPGDTSHR
SCHEMBL432053 0.89 ALDH1A1 (0.70) ALDH1A1KDM4EHIF1AHPGDTSHR
SCHEMBL4052185 0.86 KDM4E (0.73) ALDH1A1KDM4EHIF1AHPGDTSHR
SCHEMBL4044859 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EHIF1AHPGDTSHR
SCHEMBL5011514 0.84 ALDH1A1 (0.76) ALDH1A1KDM4EHIF1ATSHRHSD17B10
SCHEMBL427971 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHIF1AHPGDTSHR
SCHEMBL5015885 0.81 ALDH1A1 (0.81) ALDH1A1KDM4EHIF1ATSHRHSD17B10
SCHEMBL18805544 0.81 HSD17B10 (0.66) ALDH1A1KDM4EHIF1AHPGDTSHR

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-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
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-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20080207645-A1 Pyridothienopyrimidine Derivatives PAGES SANTACANA LUIS MIGUEL 2008-08-28 US 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 (5 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-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ALDH1A1 1271/4885KDM4E 1399/4885HIF1A 4470/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885KDM4E 1403/4885HIF1A 4595/4885
US-20080207645-A1 Pyridothienopyrimidine Derivatives PDE4A, PDE5A, PDE3B ALDH1A1 438/4885KDM4E 1526/4885HIF1A 4054/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885KDM4E 1403/4885HIF1A 4595/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ALDH1A1 1271/4885KDM4E 1399/4885HIF1A 4470/4885

“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.