SCHEMBL4239222

SCHEMBL4239222

Cc1nn(-c2ccc(C#N)cc2)c(C)c1C(=O)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.58
MAPK14 Q16539 2/20 0.56
SLC34A1 Q06495 3/20 0.52
FPR1 P21462 1/20 0.48
VNN1 O95497 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
NSD2 O96028 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
PDE4D Q08499 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4239759 0.87 SLC34A1 (0.51) ARSLC34A1MEN1KMT2APOLB
SCHEMBL4296224 0.83 POLB (0.45) SLC34A1MEN1KMT2APOLBPDE4D
SCHEMBL4233402 0.80 SLC34A1 (0.54) ARSLC34A1FPR1MEN1KMT2A
SCHEMBL2857382 0.77 LMNA (0.53) SLC34A1MEN1KMT2APOLBPDE4D
SCHEMBL4298606 0.75 AR (0.45) ARSLC34A1MEN1KMT2APOLB
SCHEMBL7935350 0.74 VNN1 (0.60) MAPK14VNN1NSD2KDM4ETP53
SCHEMBL4301527 0.73 AR (0.68) ARSLC34A1KDM4ETP53
SCHEMBL4296277 0.73 AR (1.00) ARSLC34A1MEN1KMT2A
SCHEMBL12265091 0.73 PDE4D (0.58) SLC34A1KDM4EPDE4D
SCHEMBL13664175 0.73 MAPK14 (0.63) ARMAPK14VNN1MEN1KMT2A

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 3 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

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 622/4885MAPK14 2637/4885SLC34A1 1375/4885

“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.