SCHEMBL949948

SCHEMBL949948

CN(Cc1ncc2n1C(=O)N(C1CCNCC1)C2)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.36
F2 P00734 3/20 0.36
JAK2 O60674 4/20 0.34
JAK1 P23458 4/20 0.34
TYK2 P29597 4/20 0.34
JAK3 P52333 4/20 0.34
PLAT P00750 1/20 0.33
ACVRL1 P37023 2/20 0.31
ACVR1 Q04771 2/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BMPR1A P36894 1/20 0.31

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
SCHEMBL951029 0.88 F10 (0.37) F10F2PLAT
SCHEMBL950090 0.80 RECQL (0.45) F10F2SMN1; SMN2
SCHEMBL950618 0.78 F10 (0.35) F10F2JAK2JAK1TYK2
SCHEMBL950873 0.77 F10 (0.35) F10F2
SCHEMBL949125 0.75 F10 (0.43) F10F2JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL947909 0.74 F10 (0.43) F10F2JAK2JAK1JAK3
SCHEMBL947603 0.73 F10 (0.33) F10F2
Hydrochloric Acid SCHEMBL947935 0.68 F10 (0.38) F10F2
SCHEMBL947564 0.67 CHRM2 (0.45) F10F2SMN1; SMN2
Hydrochloric Acid SCHEMBL3448545 0.67 F10 (0.39) F10F2JAK2JAK1TYK2

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 F10 545/4885F2 2/4885JAK2 106/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 F10 490/4885F2 1/4885JAK2 49/4885

“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.