SCHEMBL4239653

SCHEMBL4239653

Cc1nn(-c2ccc(C#N)cc2)c(C)c1C(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.54
SLC34A1 Q06495 5/20 0.41
NR3C1 P04150 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
PDE4D Q08499 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
SCHEMBL4302610 0.82 AR (0.49) ARSLC34A1NR3C1POLBMEN1
SCHEMBL4237798 0.81 AR (0.80) AR
SCHEMBL13653858 0.81 AR (0.61) AR
SCHEMBL4296254 0.79 AR (0.42) ARSLC34A1NR3C1SMN1; SMN2KDM4E
SCHEMBL13653838 0.79 ALDH1A1 (0.41) ARSLC34A1NR3C1SMN1; SMN2KDM4E
SCHEMBL4239759 0.75 SLC34A1 (0.51) ARSLC34A1NR3C1POLBMAPT
SCHEMBL23013056 0.75 AR (0.43) ARSLC34A1NR3C1SMN1; SMN2KDM4E
SCHEMBL4300082 0.74 AR (0.56) ARPOLBTDP1MAPTNPSR1
SCHEMBL6972133 0.74 MAPT (0.46) ARSMN1; SMN2KDM4EPOLBAPEX1
SCHEMBL4237188 0.73 AR (0.58) ARSLC34A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO 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 (1 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 AR 622/4885SLC34A1 1375/4885NR3C1 65/4885

“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.