SCHEMBL3084012

SCHEMBL3084012

C#Cc1ccccc1Cn1nc(C)c(-c2ccc(C#N)c(Cl)c2)c1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
BRD4 O60885 1/20 0.38
PGR P06401 2/20 0.37
MAPK1 P28482 1/20 0.37
NPBWR1 P48145 1/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL3082085 0.94 AR (0.48) ARKMT2AMEN1GAABRD4
SCHEMBL3079594 0.85 AR (0.43) ARKMT2AMEN1GAAPGR
SCHEMBL3081229 0.85 AR (0.50) ARGAANSD2POLBCYP2C19
SCHEMBL3075351 0.84 AR (0.47) ARKMT2AMEN1GAABRD4
SCHEMBL3083850 0.84 AR (0.46) ARKMT2AMEN1GAABRD4
SCHEMBL3076153 0.83 AR (0.47) ARGAABRD4NSD2SLC22A12
SCHEMBL3069848 0.83 AR (0.47) ARKMT2AMEN1GAAMAPK1
SCHEMBL3063842 0.83 AR (0.48) ARGAANSD2POLBCYP2C19
SCHEMBL3077443 0.82 AR (0.58) ARKMT2AMEN1GAAMAPK1
SCHEMBL3077518 0.82 AR (0.47) ARKMT2AMEN1GAAPGR

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 1/4885KMT2A 1764/4885MEN1 2054/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885KMT2A 1801/4885MEN1 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.