SCHEMBL3069370

SCHEMBL3069370

Cc1nn(Cc2cccc(C(N)=O)c2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.58
MAP3K14 Q99558 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA1 P30542 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
CASP1 P29466 1/20 0.40
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL3074104 0.91 AR (0.50) ARMAP3K14MEN1KMT2AADORA1
SCHEMBL3081349 0.90 AR (0.57) ARMAP3K14CASP1
SCHEMBL3086632 0.89 AR (0.49) ARMAP3K14MEN1KMT2AMRGPRX4
SCHEMBL3069861 0.89 AR (0.49) ARMEN1KMT2ALMNAALOX15
SCHEMBL3069320 0.89 AR (0.46) ARMAP3K14MEN1KMT2AMRGPRX4
SCHEMBL3086787 0.88 AR (0.47) ARMAP3K14CASP1
SCHEMBL3075818 0.86 CASP1 (0.47) ARMAP3K14CASP1SLC22A12
SCHEMBL3080777 0.86 CASP1 (0.47) ARMAP3K14CASP1
SCHEMBL3070091 0.85 AR (0.47) ARMEN1KMT2ALMNAPOLB
SCHEMBL3079008 0.85 AR (0.47) ARMEN1KMT2ALMNAPOLB

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 12 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 claimed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP claimed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US claimed
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 1/4885MAP3K14 2023/4885MEN1 2054/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885MAP3K14 2053/4885MEN1 2116/4885

“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.