SCHEMBL4413630

SCHEMBL4413630

CC1(C)CCC(=O)N1c1nc(-c2ccc(C#N)cc2)c(F)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN11 Q06124 1/20 0.35
ALOX5 P09917 2/20 0.35
PTGS2 P35354 1/20 0.35
POLB P06746 1/20 0.34
AR P10275 2/20 0.33
CYP11B2 P19099 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MAPK13 O15264 1/20 0.32
GCGR P47871 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL4077257 0.82 PIK3CD (0.39) KMT2AMEN1GAAMAPTRECQL
SCHEMBL4080191 0.78 ALOX5 (0.35) KMT2AMEN1GAAMAPTRECQL
SCHEMBL4076521 0.77 KMT2A (0.57) KMT2AMEN1GAAMAPTRECQL
SCHEMBL3973340 0.75 PTGDR2 (0.35) KMT2AMEN1GAAMAPTRECQL
SCHEMBL27826404 0.73 CNR1 (0.35) KMT2AMEN1GAAMAPTRECQL
SCHEMBL4086084 0.71 PIK3CD (0.38) KMT2AMEN1GAAMAPTRECQL
SCHEMBL3971702 0.70 PIK3CD (0.38) KMT2AMEN1GAAMAPTRECQL
SCHEMBL4494239 0.68 IDH1 (0.35) KMT2AMEN1GAAMAPTRECQL
SCHEMBL4073483 0.61 PIK3CD (0.46) KMT2AMEN1GAAMAPTCYP11B2
SCHEMBL4079104 0.59 IDH1 (0.38) KMT2AMEN1GAAMAPTRECQL

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501031-B Oxazolidone derivatives as PR modulators WYETH (US) 2012-02-01 CN claimed
US-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators WYETH (US) 2008-02-21 US claimed
WO-2008021339-A2 PYRROLIDINE AND RELATED DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO claimed
CN-101501031-B Oxazolidone derivatives as PR modulators WYETH (US) 2012-02-01 CN disclosed
US-7618990-B2 4-[2-(4,4-Dimethyl-2-thioxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]benzonitrile; progesterone receptor (PR); contraception, treating or preventing fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas, hormone replacement therapy WYETH (US) 2009-11-17 US disclosed
CN-101501031-A Oxazolidone derivatives as pr modulators WYETH CORP (US) 2009-08-05 CN disclosed
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US disclosed
US-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators WYETH (US) 2008-02-21 US disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
WO-2008021339-A2 PYRROLIDINE AND RELATED DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 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 (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-20080045560-A1 Pyrrolidine and related derivatives useful as PR modulators PRLHR, GNRHR, NPY1R KMT2A 492/4885MEN1 135/4885GAA 4819/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR KMT2A 667/4885MEN1 699/4885GAA 4758/4885

“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.