SCHEMBL496866

SCHEMBL496866

O=C1NC(=NS(=O)(=O)c2ccc(Cl)nc2)SC1=Cc1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.55
DYRK1B Q9Y463 7/20 0.55
CSNK2A2 P19784 5/20 0.55
CSNK2B P67870 5/20 0.55
CSNK2A1 P68400 5/20 0.55
CSNK2A3 Q8NEV1 5/20 0.55
CDC25B P30305 2/20 0.55
MAPK9 P45984 1/20 0.52
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GSK3B P49841 2/20 0.46
HPGD P15428 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL10093413 1.00 DYRK1A (0.55) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL496872 0.84 MEN1 (0.64) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL10093416 0.84 MEN1 (0.64) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL497258 0.83 KMT2A (0.66) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL497260 0.83 KMT2A (0.66) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL496852 0.83 DYRK1A (0.71) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL497128 0.83 DYRK1A (0.71) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL497063 0.83 CSNK2A2 (0.59) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL497062 0.83 CSNK2A2 (0.59) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1
SCHEMBL5477062 0.81 DYRK1A (0.59) DYRK1ADYRK1BCSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106214-B2 2-imino-4-(thio) oxo-5-polycyclovinylazolines for use as PI3 kinase inhibitors MERCK SERONO SA (CH) 2012-01-31 US claimed
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP claimed
US-8106214-B2 2-imino-4-(thio) oxo-5-polycyclovinylazolines for use as PI3 kinase inhibitors MERCK SERONO SA (CH) 2012-01-31 US disclosed
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-01-25 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 (1 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-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B DYRK1A 2093/4885DYRK1B 1813/4885CSNK2A2 1038/4885

“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.