SCHEMBL4296323

SCHEMBL4296323

Cc1nn(-c2ccc(C#N)cc2)c(C)c1COc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.54
SLC34A1 Q06495 4/20 0.42
CACNA2D1 P54289 2/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
KDM1A O60341 1/20 0.38
MAPT P10636 2/20 0.38
TDP2 O95551 1/20 0.38
NR3C1 P04150 2/20 0.38
SMO Q99835 1/20 0.38
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4233150 0.91 AR (0.60) ARSLC34A1MAPTSMOALDH1A1
SCHEMBL4305589 0.89 AR (0.54) ARSLC34A1CACNA2D1CACNA2D2NR3C1
SCHEMBL4240586 0.88 AR (0.49) ARSLC34A1SMO
SCHEMBL4233511 0.87 AR (0.70) ARSLC34A1SMOKDM4E
SCHEMBL4237759 0.87 AR (0.56) ARSLC34A1CACNA2D1CACNA2D2MAPT
SCHEMBL4234182 0.86 AR (0.51) ARSLC34A1CACNA2D1CACNA2D2SMO
SCHEMBL4239003 0.85 AR (0.54) ARSLC34A1TDP2SMOALDH1A1
SCHEMBL4232172 0.85 AR (0.54) ARSLC34A1MAPTALDH1A1KDM4E
SCHEMBL4240687 0.84 AR (0.52) ARSLC34A1
SCHEMBL4239692 0.84 AR (0.57) AR

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 2 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

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 1375/4885CACNA2D1 1585/4885

“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.