SCHEMBL3086137

SCHEMBL3086137

Cc1nn(Cc2cc(OCc3ccccc3)n(C)n2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
SLC6A4 P31645 4/20 0.41
HTR2A P28223 1/20 0.41
AR P10275 2/20 0.39
NSD2 O96028 1/20 0.39
RET P07949 1/20 0.37
XDH P47989 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
CNR1 P21554 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
MAOB P27338 1/20 0.34
TSHR P16473 1/20 0.34
MRGPRX4 Q96LA9 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
SCHEMBL3081387 0.84 PTGDR2 (0.51) ARPTGDR2FNTAFNTBPGGT1B
SCHEMBL3085352 0.84 MAOB (0.41) HTR2CSLC6A4HTR2AARNSD2
SCHEMBL3081229 0.84 AR (0.50) ARNSD2TSHR
SCHEMBL3074142 0.83 AR (0.47) ARNSD2
SCHEMBL3082069 0.83 MRGPRX4 (0.44) ARXDHPTGDR2FNTAFNTB
SCHEMBL3070075 0.81 AR (0.41) ARXDHKDM4CFNTAFNTB
SCHEMBL3063842 0.80 AR (0.48) ARNSD2FNTAFNTBPGGT1B
SCHEMBL3077545 0.79 AR (0.46) ARNSD2
SCHEMBL27815896 0.79 AR (0.46) ARNSD2TSHR
SCHEMBL27815970 0.78 AR (0.45) ARNSD2TSHR

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-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 HTR2C 407/4885SLC6A4 1451/4885HTR2A 911/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 HTR2C 400/4885SLC6A4 1412/4885HTR2A 922/4885

“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.