SCHEMBL9949807

SCHEMBL9949807

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.55
MAPT P10636 1/20 0.49
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
GPX4 P36969 1/20 0.47
GSK3B P49841 1/20 0.47
PIM3 Q86V86 1/20 0.47
BRSK1 Q8TDC3 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
PARP1 P09874 3/20 0.47
AR P10275 1/20 0.44
XDH P47989 1/20 0.43
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CNR1 P21554 2/20 0.39
HTT P42858 2/20 0.39
PIN1 Q13526 1/20 0.39
SCN2A Q99250 1/20 0.39
CDC7 O00311 1/20 0.38

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
SCHEMBL4144687 0.91 AR (0.46) MAPK14MAPTMAP4K4PIM1GPX4
SCHEMBL4142870 0.88 AR (0.46) MAPK14MAPTPARP1ARCNR1
SCHEMBL4146511 0.83 LMNA (0.44) ARMEN1KMT2ASMN1; SMN2
SCHEMBL4148107 0.82 HPGD (0.47) ARHTTKIF11KDM4EMEN1
SCHEMBL4146476 0.81 CSNK1D (0.41) MAPTARHTTKIF11KDM4E
SCHEMBL4144971 0.79 MEN1 (0.42) MAPTARCNR1HTTKDM4E
SCHEMBL4145440 0.78 TNKS2 (0.47) MAPK14MAPTARCYP1A2TNKS
SCHEMBL4143949 0.78 LMNA (0.46) MAPTGSK3BARKDM4EMEN1
SCHEMBL9949897 0.77 PGR (0.46) MAPTGSK3BDRD2HTR2AHTR2C
SCHEMBL4139896 0.77 AR (0.64) MAPK14MAPTMAP4K4PIM1GPX4

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
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-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 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 (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-20120165362-A1 Androgen receptor modulator compounds and methods AR, NR5A1, ESRRA MAPK14 3562/4885MAPT 4308/4885MAP4K4 1684/4885

“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.