SCHEMBL3070064

SCHEMBL3070064

Cc1nn(Cc2ccc(C(=O)O)cc2)c(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.65
P2RY14 Q15391 1/20 0.49
POLB P06746 3/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.48
SLC2A1 P11166 2/20 0.42
SLC2A3 P11169 2/20 0.42
SLC2A2 P11168 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
NR4A1 P22736 1/20 0.41
APEX1 P27695 1/20 0.41
APOBEC3A P31941 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3063670 0.90 AR (0.52) ARP2RY14POLBPTGDR2SLC2A1
SCHEMBL3085330 0.89 AR (0.50) ARPOLBPTGDR2SLC2A1GAA
SCHEMBL27815952 0.89 AR (0.56) ARP2RY14PTGDR2ALKBH1
SCHEMBL3080596 0.88 AR (0.53) ARP2RY14POLBPTGDR2MEN1
SCHEMBL13142730 0.86 AR (0.49) ARP2RY14POLBPTGDR2SLC2A1
SCHEMBL3075372 0.84 AR (0.48) ARPOLBPTGDR2
SCHEMBL3076106 0.84 AR (0.56) ARPOLBPTGDR2
SCHEMBL3070156 0.83 SLC2A1 (0.53) ARPOLBPTGDR2SLC2A1SLC2A3
SCHEMBL3073295 0.79 AR (0.41) ARP2RY14POLBPTGDR2MAPT
SCHEMBL6468062 0.79 AR (1.00) ARP2RY14POLBPTGDR2KDM4E

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 1/4885P2RY14 2083/4885POLB 2884/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885P2RY14 2027/4885POLB 2828/4885

“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.