SCHEMBL4098285

SCHEMBL4098285

CNC(=O)Cn1nc(C)c(Oc2ccc(C#N)c(C)c2)c1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.48
PFKFB2 O60825 1/20 0.37
PFKFB1 P16118 1/20 0.37
PFKFB3 Q16875 1/20 0.37
AR P10275 6/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
RAB9A P51151 1/20 0.36
CACNA1H O95180 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
USP30 Q70CQ3 1/20 0.33
NR3C2 P08235 1/20 0.32

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
SCHEMBL4112533 0.92 PGR (0.48) PGRPFKFB2PFKFB1PFKFB3AR
SCHEMBL4962255 0.89 MRGPRX4 (0.40) PGRARMRGPRX4FFAR4USP30
SCHEMBL4104566 0.87 PGR (0.46) PGRPFKFB2PFKFB1PFKFB3RAB9A
SCHEMBL4108130 0.86 PGR (0.64) PGRPFKFB2PFKFB1PFKFB3RAB9A
SCHEMBL4109845 0.85 PGR (0.44) PGRPFKFB2PFKFB1PFKFB3AR
SCHEMBL4976120 0.82 PGR (0.46) PGRARMRGPRX4FFAR4
SCHEMBL4106340 0.81 PGR (0.47) PGRPFKFB2PFKFB1PFKFB3AR
SCHEMBL4959655 0.81 MRGPRX4 (0.39) PGRARMRGPRX4FFAR4USP30
SCHEMBL4110197 0.79 PGR (0.45) PGRAR
SCHEMBL4107682 0.79 PGR (0.46) PGRPFKFB2PFKFB1PFKFB3RAB9A

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-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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 (2 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 PGR 57/4885PFKFB2 3929/4885PFKFB1 3798/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885PFKFB2 3718/4885PFKFB1 3602/4885

“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.