SCHEMBL4097368

SCHEMBL4097368

CNC(=O)Cn1nc(C)c(Oc2cc(C)c(C#N)c(C)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
PGR P06401 2/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.36
AR P10275 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPK8 P45983 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
SCN9A Q15858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL4959580 0.87 ALDH1A1 (0.44) MAPTARCYP1A2CYP2C19ALDH1A1
SCHEMBL4108592 0.86 LMNA (0.40) PGRMAPTATMARCYP1A2
SCHEMBL4104626 0.85 PGR (0.42) RAB9APGRCYP1A2CYP3A4CYP2C9
SCHEMBL4104566 0.85 PGR (0.46) RAB9APGRMAPTCYP1A2CYP3A4
SCHEMBL4102883 0.83 PGR (0.44) RAB9APGRCYP1A2CYP3A4CYP2C9
SCHEMBL4104676 0.79 AR (0.34) ARCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4107682 0.78 PGR (0.46) RAB9APGRALDH1A1KDM4EPKM
SCHEMBL4608810 0.78 PGR (0.34) PGRMAPTARCYP1A2CYP2C19
SCHEMBL4111142 0.77 PGR (0.45) RAB9APGRMAPTARCYP1A2
SCHEMBL4110642 0.77 PGR (0.41) RAB9APGRMAPTARALDH1A1

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 RAB9A 1074/4885PGR 57/4885MAPT 4869/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 RAB9A 881/4885PGR 87/4885MAPT 4857/4885

“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.