SCHEMBL1581005

SCHEMBL1581005

CNCc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
TSHR P16473 2/20 0.33
AKT1 P31749 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
FGFR4 P22455 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NAMPT P43490 2/20 0.33
POLB P06746 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32

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
Fumaric Acid SCHEMBL2417466 0.93 HDAC1 (0.34) TSHRALDH1A1CYP3A4MEN1KMT2A
Fumaric Acid SCHEMBL2417468 0.93 HDAC1 (0.34) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL1580992 0.91 MET (0.36) PRMT5WDR77CYP2C19
Hydrochloric Acid SCHEMBL2409973 0.90 MET (0.36) PRMT5WDR77CYP2C19
SCHEMBL1581054 0.88 CYP17A1 (0.38) EPHX2PRMT6TSHRAKT1ALDH1A1
SCHEMBL1580608 0.87 HTR6 (0.41) AKT1ALDH1A1FGFR4MEN1KMT2A
SCHEMBL1580855 0.87 CYP1A2 (0.41) EPHX2PRMT6TSHRALDH1A1CYP1A2
SCHEMBL1763042 0.86 NAMPT (0.36) TSHRMEN1KMT2ANAMPTALOX15
SCHEMBL194778 0.86 EPHX2 (0.36) EPHX2PRMT6TSHRAKT1ALDH1A1
SCHEMBL29815613 0.86 EPHX2 (0.36) EPHX2PRMT6TSHRAKT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
EP-2309985-A2 PHARMACEUTICAL COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
WO-2010013823-A2 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 WO disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 EPHX2 3180/4885PRMT6 4087/4885TSHR 1848/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 EPHX2 3180/4885PRMT6 4087/4885TSHR 1848/4885

“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.