SCHEMBL13270959

SCHEMBL13270959

CC1(C(=S)Nc2ccc(Br)c(C(F)(F)F)c2)CC(C(F)(F)F)=NN1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
XBP1 P17861 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.40
KDR P35968 3/20 0.38
EGFR P00533 2/20 0.38
DHODH Q02127 1/20 0.36
RAF1 P04049 1/20 0.36

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
SCHEMBL204794 0.88 MAPT (0.47) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL201590 0.85 AR (0.41)
SCHEMBL2704558 0.85 AR (0.35) EPHX1LMNA
SCHEMBL2704457 0.85 AR (0.35) EPHX1LMNA
SCHEMBL204068 0.85 AR (0.41)
SCHEMBL203183 0.85 AR (0.41)
SCHEMBL2704622 0.85 AR (0.35) EPHX1LMNA
SCHEMBL13270973 0.83 AR (0.50) HTTLMNASMN1; SMN2
SCHEMBL201890 0.83 MAPT (0.43) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL13271005 0.78 CDK8 (0.36) EPHX1MAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991223-B1 NOVEL IMIDAZOLOPYRAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-14 EP disclosed
US-7655683-B2 Imidazolopyrazole derivatives useful as selective androgen receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2010-02-02 US disclosed
US-7655683-B2 Imidazolopyrazole derivatives useful as selective androgen receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2010-02-02 US disclosed
US-20070197616-A1 NOVEL IMIDAZOLOPYRAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 US disclosed
US-20070197616-A1 NOVEL IMIDAZOLOPYRAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 US disclosed
WO-2007092727-A1 NOVEL IMIDAZOLOPYRAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 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 (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-20070197616-A1 NOVEL IMIDAZOLOPYRAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, NR5A2 EPHX1 3659/4885MAPT 2388/4885HTT 4221/4885

“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.