SCHEMBL594412

SCHEMBL594412

[CH2]N1CCC(c2cccnc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.54
▸ CHRNA7 P36544 5/20 0.47
▸ CHRNB2 P17787 5/20 0.47
▸ CHRNA4 P43681 5/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CHRNB4 P30926 2/20 0.46
▸ CHRNA3 P32297 2/20 0.46
▸ CHRNA2 Q15822 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTR3E A5X5Y0 1/20 0.46
▸ PSIP1 O75475 1/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46

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
SCHEMBL28809236 0.80 CYP11B2 (0.54) CYP11B2CHRNA7CHRNB2CHRNA4HSD11B1
SCHEMBL13006578 0.80 CYP11B2 (0.54) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL29384803 0.80 CYP11B2 (0.54) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL24315732 0.80 CYP11B2 (0.54) CYP11B2CHRNA7CHRNB2CHRNA4HSD11B1
SCHEMBL594413 0.80 CYP11B2 (0.54) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL9557866 0.79 CYP11B2 (0.57) CYP11B2CHRNA7CHRNB2CHRNA4HSD11B1
SCHEMBL2075776 0.78 SLC18A3 (0.47) ALDH1A1LMNAMAPT
SCHEMBL3928801 0.77 HSD11B1 (0.60) CYP11B2CHRNA7CHRNB2CHRNA4HSD11B1
SCHEMBL19302636 0.76 USP30 (0.53) CYP11B2CHRNA7CHRNB2CHRNA4HSD11B1
SCHEMBL14805866 0.76 CYP11B2 (0.50) CYP11B2CHRNA7CHRNB2CHRNA4HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 — — US claimed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 — — US claimed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 — — EP claimed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 — — WO claimed
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 — — US disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 — — US disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 — — EP disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 — — 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-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP CYP11B2 1549/4885CHRNA7 4879/4885CHRNB2 4876/4885

“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.

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