SCHEMBL496856

SCHEMBL496856

Cc1ccc(S(=O)(=O)N=C2NC(=O)C(=Cc3ccc4c(c3)OC(F)(F)O4)S2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.65
MEN1 O00255 7/20 0.65
POLB P06746 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HTT P42858 2/20 0.65
KDM4E B2RXH2 1/20 0.65
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
PIK3CA P42336 1/20 0.60
PIK3CG P48736 1/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
HPGD P15428 8/20 0.58
MAPT P10636 6/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NSD2 O96028 2/20 0.57
ALOX12 P18054 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57

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
SCHEMBL496855 1.00 KMT2A (0.65) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL496932 0.90 NPC1 (0.62) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL496931 0.90 NPC1 (0.62) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL497258 0.87 KMT2A (0.66) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL497260 0.87 KMT2A (0.66) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL497276 0.85 NPC1 (0.67) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL497277 0.85 NPC1 (0.67) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL2884586 0.76 RAB9A (1.00) PIK3CAPIK3CGNPC1RAB9AHPGD
SCHEMBL1804516 0.76 RAB9A (1.00) PIK3CAPIK3CGNPC1RAB9AHPGD
SCHEMBL29366360 0.76 RAB9A (1.00) PIK3CAPIK3CGNPC1RAB9AHPGD

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 17 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-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
JP-2007500171-A 2007-01-11 JP claimed
EP-1648452-A1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2006-04-26 EP 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
WO-2005011686-A1 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 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-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2008-12-11 US disclosed
EP-1931424-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2008-06-18 EP disclosed
WO-2007030360-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2007-03-15 WO 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
EP-1648452-A1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2006-04-26 EP disclosed
WO-2005011686-A1 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 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 (3 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 KMT2A 1230/4885MEN1 2366/4885POLB 1667/4885
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B KMT2A 3092/4885MEN1 3203/4885POLB 2638/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 KMT2A 603/4885MEN1 1758/4885POLB 3358/4885

“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.