SCHEMBL21490791

SCHEMBL21490791

N/C(=N\O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX12 P18054 1/20 0.41
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
NFKB1 P19838 1/20 0.38
STAT6 P42226 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL1238991 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ALOX12CRHBPHTT
SCHEMBL22566404 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ALOX12CRHBPHTT
SCHEMBL14098181 0.82 HSD11B1 (0.42) ALDH1A1SMN1; SMN2ALOX12HSD11B1HSD11B2
SCHEMBL16684363 0.82 HSD11B1 (0.42) ALDH1A1SMN1; SMN2ALOX12HSD11B1HSD11B2
SCHEMBL12308345 0.78 HSD11B1 (0.40) ALDH1A1SMN1; SMN2ALOX12HSD11B1HSD11B2
SCHEMBL6681643 0.76 SIGMAR1 (0.52) ALDH1A1SMN1; SMN2ALOX12CRHBPHTT
SCHEMBL19258302 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ALOX12CRHBPHTT
Hydrochloric Acid SCHEMBL7110962 0.72 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2ALOX12CRHBPHTT
SCHEMBL8343395 0.70 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ALOX12SIGMAR1GRIN2D
SCHEMBL10424700 0.70 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ALOX12SIGMAR1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-11795196-B2 Mitochondria-targeting peptides STEALTH BIOTHERAPEUTICS INC. (US) 2023-10-24 US disclosed
US-20230146515-A1 MITOCHONDRIA-TARGETING PEPTIDES STEALTH BIOTHERAPEUTICS INC. 2023-05-11 US disclosed
EP-3555096-B1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2022-11-23 EP disclosed
CN-114685505-A Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-07-01 CN disclosed
CN-110312719-B Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-04-15 CN disclosed
US-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2021-07-08 US disclosed
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
US-20190322665-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 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 (6 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-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 ALDH1A1 2835/4885SMN1; SMN2 4088/4885ALOX12 2865/4885
US-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 ALDH1A1 2835/4885SMN1; SMN2 4088/4885ALOX12 2865/4885
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 ALDH1A1 2835/4885SMN1; SMN2 4088/4885ALOX12 2865/4885
US-11795196-B2 Mitochondria-targeting peptides HSPE1, TFAM, TNNI3 ALDH1A1 3737/4885SMN1; SMN2 2507/4885ALOX12 2938/4885
US-20190322665-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 ALDH1A1 2835/4885SMN1; SMN2 4088/4885ALOX12 2865/4885
US-20230146515-A1 MITOCHONDRIA-TARGETING PEPTIDES HSPE1, TFAM, TNNI3 ALDH1A1 3737/4885SMN1; SMN2 2507/4885ALOX12 2938/4885

“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.