SCHEMBL496945

SCHEMBL496945

CS(=O)(=O)N=C1NC(=O)C(=C(Cc2ccccc2)C2=COCO2)S1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
PKM P14618 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
AGTR1 P30556 1/20 0.34
RECQL P46063 1/20 0.34
TLR9 Q9NR96 1/20 0.34
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 3/20 0.31
POLB P06746 2/20 0.31
GSK3B P49841 2/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL497129 0.89 KMT2A (0.41) MAPTPKMMEN1KMT2AALDH1A1
SCHEMBL497261 0.87 KMT2A (0.48) MAPTPKMMEN1KMT2AALDH1A1
SCHEMBL497245 0.85 HPGD (0.46) PKMKMT2AALDH1A1MAPK1NPSR1
SCHEMBL4379161 0.85 CDC25B (0.35) PKMKMT2AALDH1A1MAPK1NPSR1
SCHEMBL496965 0.85 MEN1 (0.32) MAPTPKMMEN1KMT2AALDH1A1
SCHEMBL1249099 0.82 HPGD (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2788176 0.82 DYRK3 (0.35) PKMMEN1KMT2AHPGDPOLB
SCHEMBL2788331 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL4367461 0.81 LMNA (0.38) MAPTPKMMEN1KMT2AALDH1A1
SCHEMBL497531 0.81 NAT1 (0.39) MAPTMEN1KMT2AALDH1A1MAPK1

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-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US claimed
EP-1807075-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA Applied Research Systems ARS Holding N.V. (AN) 2007-07-18 EP claimed
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 claimed
WO-2006040318-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-04-20 WO 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
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP 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 (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-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 MAPT 4325/4885PKM 490/4885MEN1 2366/4885
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B MAPT 3683/4885PKM 752/4885MEN1 3203/4885

“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.