SCHEMBL3074152

SCHEMBL3074152

Cc1nn(Cc2cn[nH]c2C(N)=O)c(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
SLC2A1 P11166 2/20 0.38
SLC2A3 P11169 2/20 0.38
SLC2A4 P14672 2/20 0.38
MAP2 P11137 1/20 0.37
AR P10275 7/20 0.36
CYP11B2 P19099 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
GRM2 Q14416 1/20 0.34
CRHR1 P34998 1/20 0.34
MAPT P10636 1/20 0.34
PRKDC P78527 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
SCHEMBL3073295 0.91 AR (0.41) PTGDR2ARCYP11B2CRHR1MAPT
SCHEMBL3081244 0.87 ALDH1A1 (0.42) PTGDR2ARCYP11B2MAPT
SCHEMBL3079435 0.85 AR (0.41) AR
SCHEMBL3063670 0.80 AR (0.52) PTGDR2SLC2A1SLC2A3SLC2A4AR
SCHEMBL3085330 0.76 AR (0.50) PTGDR2SLC2A1ARCYP11B2
SCHEMBL3074151 0.76 AR (0.41) PTGDR2AR
SCHEMBL3070064 0.74 AR (0.65) PTGDR2SLC2A1SLC2A3SLC2A4AR
SCHEMBL3086581 0.73 MAPK1 (0.42) PTGDR2SLC2A1SLC2A3SLC2A4AR
SCHEMBL3074166 0.73 AR (0.39) ARCYP11B2MAPT
SCHEMBL3080596 0.72 AR (0.53) PTGDR2ARCYP11B2MAPT

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 PTGDR2 385/4885SLC2A1 3366/4885SLC2A3 3131/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 PTGDR2 404/4885SLC2A1 3345/4885SLC2A3 3114/4885

“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.