SCHEMBL4298378

SCHEMBL4298378

Cc1nn(-c2ccc(C#N)cc2)c(C)c1CS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.66
FPR1 P21462 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
SLC34A1 Q06495 2/20 0.42
SMO Q99835 2/20 0.40
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 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
SCHEMBL4296277 0.80 AR (1.00) ARCYP1A2SLC34A1SMO
SCHEMBL4239407 0.79 AR (0.80) ARCYP1A2SLC34A1SMOKDM4E
SCHEMBL4233511 0.78 AR (0.70) ARCYP1A2SLC34A1SMOKDM4E
SCHEMBL4234605 0.77 AR (0.69) ARCYP1A2SLC34A1SMOKDM4E
SCHEMBL4236666 0.73 AR (0.64) ARSLC34A1
SCHEMBL4296326 0.71 AR (0.58) ARFPR1LMNACYP1A2SLC34A1
SCHEMBL4296324 0.71 AR (0.58) ARFPR1LMNACYP1A2SLC34A1
SCHEMBL4239222 0.71 AR (0.58) ARFPR1SMN1; SMN2SLC34A1KDM4E
SCHEMBL4303853 0.71 AR (0.60) ARLMNASMN1; SMN2ALDH1A1SLC34A1
SCHEMBL4299115 0.71 AR (0.60) ARSLC34A1SMO

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 622/4885FPR1 463/4885LMNA 4258/4885

“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.