SCHEMBL3076247

SCHEMBL3076247

Cc1nc(-c2ccccc2)ncc1Cn1nc(C)c(-c2ccc(C#N)c(Cl)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.42
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
CYP11B2 P19099 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NSD2 O96028 1/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAP3K14 Q99558 1/20 0.34
XDH P47989 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
RET P07949 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL3063842 0.83 AR (0.48) ARPOLBKDM4ENPSR1CYP1A2
SCHEMBL3082085 0.83 AR (0.48) ARCYP11B2NSD2GAAKMT2A
SCHEMBL3081229 0.83 AR (0.50) ARALDH1A1LMNAPOLBKDM4E
SCHEMBL3089368 0.81 AR (0.42) ARPOLBKDM4ENPSR1CYP11B2
SCHEMBL28788390 0.81 AR (0.44) ARALDH1A1L3MBTL1KDM4ENPSR1
SCHEMBL3083850 0.80 AR (0.46) ARALDH1A1KDM4ENPSR1CYP11B2
SCHEMBL3083430 0.80 AR (0.47) ARPOLBGAAKMT2AMEN1
SCHEMBL3083303 0.80 AR (0.42) ARPOLBNPSR1CYP1A2CYP2C9
SCHEMBL3084012 0.79 AR (0.45) ARPOLBCYP2C19NSD2GAA
SCHEMBL3075270 0.79 AR (0.44) ARKDM4ECYP11B2NSD2KMT2A

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 1/4885ALDH1A1 809/4885LMNA 4608/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885ALDH1A1 816/4885LMNA 4607/4885

“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.