SCHEMBL6090239

SCHEMBL6090239

C#CC(O)(C#C)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.49
CYP3A4 P08684 5/20 0.47
CYP3A5 P20815 3/20 0.47
KCNA5 P22460 5/20 0.47
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNH2 Q12809 2/20 0.40

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
SCHEMBL8522232 0.81 CYP19A1 (0.50) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL1614645 0.81 CYP3A4 (0.47) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL17963323 0.78 CYP3A4 (0.46) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL19627972 0.76 CYP19A1 (0.57) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL29138449 0.76 CYP19A1 (0.50) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL30048933 0.76 CYP19A1 (0.50) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL11628920 0.74 CYP19A1 (0.64) CYP19A1CYP3A4CYP3A5
SCHEMBL18133808 0.73 TSHR (0.43) CYP3A4CYP1A2CYP2C9CYP2C19KCNH2
SCHEMBL1614101 0.73 CYP19A1 (0.43) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL24371727 0.72 CYP19A1 (0.53) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2

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
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R CYP19A1 179/4885CYP3A4 801/4885CYP3A5 365/4885

“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.