SCHEMBL4296326

SCHEMBL4296326

Cc1nn(-c2ccc(C#N)cc2)c(C)c1C=Cc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.58
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
SLC34A1 Q06495 4/20 0.41
FPR1 P21462 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
PGR P06401 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 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
SCHEMBL4296324 1.00 AR (0.58) ARLMNAKDM4ETP53SLC34A1
SCHEMBL4240991 0.83 AR (0.51) ARLMNAKDM4EPTGS2CYP1A2
SCHEMBL4240988 0.83 AR (0.51) ARLMNAKDM4EPTGS2CYP1A2
SCHEMBL4232518 0.82 AR (0.66) AR
SCHEMBL4232516 0.82 AR (0.66) AR
SCHEMBL4241325 0.77 AR (0.53) ARLMNAKDM4ESLC34A1
SCHEMBL4301527 0.76 AR (0.68) ARKDM4ETP53SLC34A1BRAF
SCHEMBL14758485 0.74 NFE2L2 (0.54) KDM4ETP53
SCHEMBL28621230 0.74 NFE2L2 (0.54) KDM4ETP53
SCHEMBL4296277 0.73 AR (1.00) ARSLC34A1CYP1A2

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 622/4885LMNA 4258/4885KDM4E 2978/4885

“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.