SCHEMBL3076741

SCHEMBL3076741

Cc1nn(Cc2cccnc2N2CCCCC2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
CYP11B2 P19099 2/20 0.39
CNR2 P34972 3/20 0.38
SCN2A Q99250 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
MTOR P42345 1/20 0.36
RPTOR Q8N122 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
CNR1 P21554 1/20 0.36
ENPP2 Q13822 1/20 0.36
P2RX7 Q99572 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP11B1 P15538 1/20 0.35
HSD11B1 P28845 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL3083408 0.91 SCN10A (0.40) ARCYP11B2SCN2ASCN10AP2RX7
SCHEMBL3083850 0.86 AR (0.46) ARCYP11B2P2RX7CYP11B1NSD2
SCHEMBL3082085 0.81 AR (0.48) ARCYP11B2NSD2MEN1KMT2A
SCHEMBL3070058 0.78 CACNA1H (0.45) ARCNR2CNR1
SCHEMBL3077545 0.78 AR (0.46) ARCYP11B2P2RX7CYP11B1NSD2
SCHEMBL3075740 0.78 AR (0.43) ARSCN2ASCN10AP2RX7LMNA
SCHEMBL3084012 0.77 AR (0.45) ARNSD2MEN1POLBKMT2A
SCHEMBL3075351 0.76 AR (0.47) ARHTR2ALMNAMEN1KMT2A
SCHEMBL3081229 0.76 AR (0.50) ARLMNANSD2POLB
SCHEMBL3077518 0.76 AR (0.47) ARCYP11B2LMNANSD2MEN1

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 9 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
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 AR 1/4885CYP11B2 13/4885CNR2 101/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885CYP11B2 13/4885CNR2 97/4885

“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.