SCHEMBL6090728

SCHEMBL6090728

Cc1ccc(C(C)(C)c2c[nH]c3c(N)cccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.39
PARP1 P09874 2/20 0.34
CLK1 P49759 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
NR3C1 P04150 3/20 0.33
PGR P06401 3/20 0.33
NR3C2 P08235 3/20 0.33
AR P10275 3/20 0.33
TSHR P16473 2/20 0.32
HTR2A P28223 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8320226 0.83 IMPDH2 (0.36) IMPDH2PARP1CLK1CDK5CDK5R1
SCHEMBL8330043 0.77 NR3C1 (0.39) PARP1NR3C1PGRNR3C2AR
SCHEMBL6090269 0.76 NR3C1 (0.58) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL27174846 0.73 IMPDH2 (0.46) IMPDH2PARP1CLK1CDK5CDK5R1
SCHEMBL7089054 0.70 REN (0.50) IMPDH2PARP1CLK1CDK5CDK5R1
SCHEMBL8331367 0.70 NR3C1 (0.66) IMPDH2CLK1CDK5CDK5R1NR3C1
SCHEMBL6089244 0.70 NR3C1 (0.39) IMPDH2PARP1CLK1CDK5CDK5R1
SCHEMBL6092231 0.68 KIF11 (0.34) IMPDH2PARP1HTR2AMAPTALDH1A1
SCHEMBL2020228 0.64 CD44 (0.43) ARTSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL6090518 0.64 NR3C1 (0.72) NR3C1PGRNR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R IMPDH2 672/4885PARP1 4745/4885CLK1 4017/4885

“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.