SCHEMBL3083408

SCHEMBL3083408

Cc1nn(Cc2cccnc2N2CCOCC2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.40
SCN2A Q99250 1/20 0.40
NMT1 P30419 1/20 0.40
AR P10275 3/20 0.39
PIK3C2B O00750 1/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38
CYP11B2 P19099 1/20 0.37
SRC P12931 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
LMNA P02545 1/20 0.36
LRRK2 Q5S007 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3076741 0.91 AR (0.40) SCN10ASCN2AARPOLBKMT2A
SCHEMBL3075740 0.87 AR (0.43) SCN10ASCN2AARPIK3C2BKDM4E
SCHEMBL3083850 0.84 AR (0.46) ARKDM4EKMT2AP2RX7CYP11B2
SCHEMBL3076101 0.83 AR (0.48) ARPIK3C2BKDM4EPOLBKMT2A
SCHEMBL3081176 0.80 CNR2 (0.44) ARCYP11B2
SCHEMBL3085294 0.80 AR (0.47) ARPOLBKMT2AALDH1A1LMNA
SCHEMBL3082085 0.79 AR (0.48) ARKMT2ACYP11B2
SCHEMBL3069193 0.77 AR (0.41) ARPIK3C2BKDM4EKMT2AALDH1A1
SCHEMBL3077545 0.77 AR (0.46) ARKDM4EP2RX7CYP11B2ALDH1A1
SCHEMBL3084012 0.76 AR (0.45) ARPOLBKMT2A

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
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 SCN10A 1558/4885SCN2A 1628/4885NMT1 3629/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 SCN10A 1527/4885SCN2A 1587/4885NMT1 3633/4885

“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.