SCHEMBL21490729

SCHEMBL21490729

C[Si](C)(C)[C@H]1CC[C@@H](NC(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
EPHX2 P34913 2/20 0.37
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
EPHX1 P07099 6/20 0.35
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
SMYD3 Q9H7B4 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21490677 1.00 POLB (0.38) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL29602045 0.83 ATM (0.44) EPHX2MMP2MMP8EPHX1KDM4E
SCHEMBL245467 0.81
SCHEMBL6658887 0.81 EPHX2 (0.50) POLBEPHX2MMP2MMP8EPHX1
Hydrochloric Acid SCHEMBL11416981 0.78
Bicarbonate SCHEMBL9362800 0.78 MAPK1 (0.39) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL23573287 0.75 EPHX1 (0.59) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL852876 0.75 ATM (0.48) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL852875 0.75 ATM (0.48) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL3273214 0.75 POLB (0.41) POLBEPHX2MMP2MMP8EPHX1

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 5 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
EP-3555096-B1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2022-11-23 EP 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 (4 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 POLB 1273/4885EPHX2 3047/4885MMP2 3352/4885
US-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 POLB 1273/4885EPHX2 3047/4885MMP2 3352/4885
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 POLB 1273/4885EPHX2 3047/4885MMP2 3352/4885
US-20190322665-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 POLB 1273/4885EPHX2 3047/4885MMP2 3352/4885

“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.