SCHEMBL3069848

SCHEMBL3069848

Cc1nn(Cc2ccccc2C(=O)O)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
GAA P10253 3/20 0.43
POLB P06746 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SLC22A12 Q96S37 2/20 0.40
MAP3K14 Q99558 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3077443 0.91 AR (0.58) ARGAAPOLBKMT2AMEN1
SCHEMBL27815918 0.90 AR (0.46) ARGAAPOLBSLC22A12MAP3K14
SCHEMBL3070069 0.90 AR (0.45) ARGAAKMT2ASMN1; SMN2MAPK1
SCHEMBL3069857 0.90 AR (0.47) ARGAAPOLBKMT2ASMN1; SMN2
SCHEMBL3081322 0.90 AR (0.45) ARGAAPOLBKMT2AMEN1
SCHEMBL3082085 0.87 AR (0.48) ARGAAKMT2AMEN1MAPK1
SCHEMBL3085294 0.85 AR (0.47) ARGAAPOLBKMT2AMEN1
SCHEMBL3070043 0.84 AR (0.44) ARGAAPOLBSLC22A12MAP3K14
SCHEMBL3077659 0.84 AR (0.44) ARPOLBSLC22A12MAP3K14PTGDR2
SCHEMBL3088707 0.84 AR (0.44) ARPOLBSLC22A12MAP3K14PTGDR2

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 1/4885GAA 4868/4885POLB 2884/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885GAA 4868/4885POLB 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.