SCHEMBL4302610

SCHEMBL4302610

Cc1nn(-c2ccc(C#N)cc2)c(C)c1C(C)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.49
SLC34A1 Q06495 12/20 0.43
FPR1 P21462 1/20 0.37
NR3C1 P04150 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL4239653 0.82 AR (0.54) ARSLC34A1NR3C1MEN1POLB
SCHEMBL4237188 0.79 AR (0.58) ARSLC34A1FPR1
SCHEMBL23013056 0.78 AR (0.43) ARSLC34A1FPR1NR3C1MEN1
SCHEMBL4296254 0.77 AR (0.42) ARSLC34A1NR3C1MEN1KMT2A
SCHEMBL5904635 0.77 BRAF (0.42) ARFPR1NR3C1
SCHEMBL4307303 0.76 AR (0.55) ARSLC34A1FPR1
SCHEMBL20075148 0.76 SLC34A1 (0.53) ARSLC34A1NR3C1MEN1KMT2A
SCHEMBL20037190 0.75 SMN1; SMN2 (0.62) ARSLC34A1ALDH1A1CYP2A6
SCHEMBL4236666 0.75 AR (0.64) ARSLC34A1MEN1KMT2A
SCHEMBL4233402 0.72 SLC34A1 (0.54) ARSLC34A1FPR1NR3C1MEN1

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 622/4885SLC34A1 1375/4885FPR1 463/4885

“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.