SCHEMBL14955100

SCHEMBL14955100

CCOC(=O)c1cnc(S)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 7/20 0.46
HSD17B10 Q99714 5/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL2225671 0.85 KDM4E (0.51) P2RY12CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL3954184 0.84 P2RY12 (0.49) P2RY12CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL11194084 0.83 P2RY12 (0.48) P2RY12CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL719802 0.83 TDP1 (0.50) P2RY12CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL12467752 0.81 L3MBTL1 (0.61) P2RY12CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL3948173 0.79 P2RY12 (0.45) P2RY12CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL14962999 0.79 CYP11B1 (0.43) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL2121810 0.78 P2RY12 (0.47) P2RY12CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL1008697 0.74 TDP1 (0.50) P2RY12CYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL31719508 0.74 TDP1 (0.50) P2RY12CYP2C9CYP2C19L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2928470-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2015-10-14 EP disclosed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO 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

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-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 P2RY12 144/4885CYP2C9 992/4885CYP2C19 1195/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 P2RY12 144/4885CYP2C9 992/4885CYP2C19 1195/4885

“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.