SCHEMBL5068159

SCHEMBL5068159

Nc1nc2ccsc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 2/20 0.50
QTRT1 Q9BXR0 1/20 0.49
PDPK1 O15530 1/20 0.49
PARP1 P09874 1/20 0.49
SPR P35270 3/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
PDE5A O76074 1/20 0.43
TYMS P04818 3/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL17893461 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTPDPK1PARP1
SCHEMBL6420959 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTPDPK1PARP1
SCHEMBL20458014 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTPDPK1PARP1
SCHEMBL1369682 0.78 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AMAPTPDPK1PARP1
SCHEMBL20458007 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTPDPK1PARP1
SCHEMBL18689714 0.77 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMAPTPDPK1PARP1
SCHEMBL26686350 0.77 ALDH1A1 (0.54) SMN1; SMN2RAB9AMAPTCASP3SENP8
Hydrochloric Acid SCHEMBL20303302 0.76 SMN1; SMN2 (0.72) SMN1; SMN2RAB9AMAPTPARP1SPR
SCHEMBL3985339 0.74 RXFP1 (0.54) SMN1; SMN2RAB9AMAPTCASP3SENP8
SCHEMBL13976074 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTPDPK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2786998-B1 THIENYL [3, 2-D]PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-07-25 EP claimed
US-9045491-B2 Thienyl [3,2-D] pyrimidin-4-one compounds, preparation method, pharmaceutical compositions and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-02 US claimed
US-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-30 US claimed
EP-2786998-A1 THIENYL [3, 2-D]PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-10-08 EP claimed
US-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-23 US claimed
EP-2786998-B1 THIENYL [3, 2-D]PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-07-25 EP disclosed
US-9045491-B2 Thienyl [3,2-D] pyrimidin-4-one compounds, preparation method, pharmaceutical compositions and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-02 US disclosed
US-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-30 US disclosed
EP-2786998-A1 THIENYL [3, 2-D]PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-10-08 EP disclosed
US-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-23 US disclosed
WO-2006076102-A2 FLUORESCENT NUCLEOSIDE ANALOGS THAT MIMIC NATURALLY OCCURRING NUCLEOSIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-07-20 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-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF DPP4, DPP7, DPP3 SMN1; SMN2 3392/4885RAB9A 2430/4885MAPT 4003/4885
US-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides NSUN2, NSUN3, NCL SMN1; SMN2 1873/4885RAB9A 4274/4885MAPT 2160/4885

“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.