SCHEMBL5114972

SCHEMBL5114972

CC(C)Oc1cc(C(F)(F)F)c2c3c(ccc2n1)NCCO3

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.49
EGFR P00533 3/20 0.41
RET P07949 1/20 0.33
TRPA1 O75762 1/20 0.31
GRM5 P41594 1/20 0.31
CDK1 P06493 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL5114827 0.81 AR (0.53) ARTRPA1CDK1
SCHEMBL5114835 0.81 AR (0.53) ARTRPA1CDK1
SCHEMBL5124248 0.81 AR (0.32) ARTRPA1
SCHEMBL5494359 0.80 AR (0.40) ARTRPA1CDK1
SCHEMBL5118678 0.80 AR (0.40) ARTRPA1CDK1
SCHEMBL5122002 0.79 AR (0.55) ARCDK1
SCHEMBL5124748 0.79 AR (0.55) ARCDK1
SCHEMBL5116557 0.78 AR (0.45) AR
SCHEMBL5486825 0.77 AR (0.55) ARTRPA1CDK1
SCHEMBL5123270 0.77 AR (0.56) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods HIGUCHI ROBERT I 2008-12-04 US disclosed
US-7214690-B2 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-05-08 US disclosed
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2007-03-29 US disclosed
US-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 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-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885EGFR 1604/4885RET 1123/4885
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885EGFR 1889/4885RET 1452/4885
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885EGFR 1889/4885RET 1452/4885

“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.