SCHEMBL4139896

SCHEMBL4139896

Cc1c(-c2cccc(C(F)(F)F)c2)n(CC(F)(F)F)c2ccc3[nH]c(=O)cc(Cl)c3c12

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.64
MAPK14 Q16539 2/20 0.44
MAPT P10636 1/20 0.43
PARP1 P09874 2/20 0.38
GRIN1 Q05586 10/20 0.36
GRIN2B Q13224 10/20 0.36
XDH P47989 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
GPX4 P36969 1/20 0.36
GSK3B P49841 1/20 0.36
PIM3 Q86V86 1/20 0.36
BRSK1 Q8TDC3 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
PLAT P00750 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
SCHEMBL4146402 0.90 AR (0.66) ARMAPK14MAPT
SCHEMBL4138578 0.89 AR (0.65) ARMAPK14MAPTGRIN1GRIN2B
SCHEMBL4138746 0.89 AR (0.70) AR
SCHEMBL4140160 0.88 AR (0.64) ARMAPK14MAPT
SCHEMBL4135420 0.86 AR (0.69) AR
SCHEMBL4130942 0.86 AR (0.69) AR
SCHEMBL4137113 0.85 AR (0.60) ARMAPTGRIN1GRIN2B
SCHEMBL4136833 0.85 AR (0.67) AR
SCHEMBL4143689 0.84 AR (0.66) ARGSK3B
SCHEMBL4142957 0.83 AR (0.63) ARMAPK14

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US claimed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US claimed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US claimed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US claimed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US claimed
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP disclosed
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 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 (3 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-20090030027-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885MAPK14 3562/4885MAPT 4308/4885
US-20120165362-A1 Androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885MAPK14 3562/4885MAPT 4308/4885
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885MAPK14 3562/4885MAPT 4308/4885

“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.