SCHEMBL4239759

SCHEMBL4239759

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 1/20 0.51
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDE4D Q08499 1/20 0.50
ABCB1 P08183 1/20 0.48
NPC1 O15118 3/20 0.47
HSD11B1 P28845 1/20 0.46
AR P10275 1/20 0.45
NR3C1 P04150 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
WNT3A P56704 1/20 0.44

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
SCHEMBL4239222 0.87 AR (0.58) SLC34A1PDE4DARMEN1KMT2A
SCHEMBL4233402 0.82 SLC34A1 (0.54) SLC34A1RAB9AMAPTNPSR1PDE4D
SCHEMBL4239653 0.75 AR (0.54) SLC34A1RAB9AMAPTNPSR1PDE4D
SCHEMBL13653838 0.75 ALDH1A1 (0.41) SLC34A1RAB9AMAPTNPSR1PDE4D
SCHEMBL2938583 0.74 MEN1 (0.69) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL12438890 0.73 ABCB1 (0.59) RAB9AMAPTNPSR1PDE4DABCB1
SCHEMBL4237006 0.73 AR (0.72) SLC34A1RAB9ANPC1ARMEN1
SCHEMBL4130422 0.72 RAB9A (0.66) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL4234704 0.72 AR (0.77) RAB9ANPC1ARMEN1KMT2A
SCHEMBL4232079 0.72 SLC34A1 (0.52) SLC34A1RAB9AMAPTNPSR1NPC1

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 5 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
WO-2009119534-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE 第一三共株式会社 (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 SLC34A1 1375/4885RAB9A 3098/4885MAPT 3590/4885

“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.