SCHEMBL949949

SCHEMBL949949

CN(CN1C=C2C(=O)N(C3CCNCC3)CN2C1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.35
JAK1 P23458 4/20 0.35
TYK2 P29597 4/20 0.35
JAK3 P52333 4/20 0.35
TP53 P04637 1/20 0.32

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
SCHEMBL951030 0.87 TP53 (0.35) TP53
SCHEMBL950091 0.79 RECQL (0.44)
SCHEMBL950619 0.77 TP53 (0.35) TP53
SCHEMBL950874 0.76 TP53 (0.31) TP53
SCHEMBL949126 0.73 TP53 (0.36) TP53
Hydrochloric Acid SCHEMBL947910 0.72 TP53 (0.36) TP53
SCHEMBL947606 0.71 TP53 (0.31) TP53
Hydrochloric Acid SCHEMBL947937 0.66 ALDH1A1 (0.33) TP53
Hydrochloric Acid SCHEMBL949143 0.65 EPHX1 (0.34)
Hydrochloric Acid SCHEMBL3448547 0.65 PARP1 (0.35)

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 JAK2 106/4885JAK1 315/4885TYK2 403/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 JAK2 49/4885JAK1 264/4885TYK2 288/4885

“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.