SCHEMBL4239407

SCHEMBL4239407

Cc1nn(-c2ccc(C#N)cc2)c(C)c1CCc1ccc(F)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.80
CYP1A2 P05177 1/20 0.46
SMO Q99835 2/20 0.42
SLC34A1 Q06495 4/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4296277 0.89 AR (1.00) ARCYP1A2SMOSLC34A1NPC1
SCHEMBL4241463 0.83 AR (0.80) AR
SCHEMBL4240811 0.82 AR (1.00) AR
SCHEMBL4233511 0.81 AR (0.70) ARCYP1A2SMOSLC34A1KDM4E
SCHEMBL4234605 0.81 AR (0.69) ARCYP1A2SMOSLC34A1KDM4E
SCHEMBL4298378 0.79 AR (0.66) ARCYP1A2SMOSLC34A1KDM4E
SCHEMBL4236666 0.77 AR (0.64) ARSLC34A1NPC1RAB9AMEN1
SCHEMBL4234704 0.75 AR (0.77) ARNPC1RAB9AMEN1KMT2A
SCHEMBL4303853 0.75 AR (0.60) ARSMOSLC34A1
SCHEMBL4239307 0.75 AR (0.60) ARSMOSLC34A1

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
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

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 622/4885CYP1A2 37/4885SMO 675/4885

“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.