SCHEMBL5956584

SCHEMBL5956584

O=C(N[C@H]1CCSc2cc(C(=O)Nc3ccnc4[nH]ccc34)ccc21)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.45
JAK1 P23458 8/20 0.45
TYK2 P29597 6/20 0.45
ROCK2 O75116 3/20 0.40
GSK3B P49841 2/20 0.40
CIT O14578 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40
CSNK2A2 P19784 1/20 0.40
MARK3 P27448 1/20 0.40
BMPR1A P36894 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3A P49840 1/20 0.40
CDK9 P50750 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL5956589 1.00 JAK2 (0.45) JAK2JAK1TYK2ROCK2GSK3B
SCHEMBL5956647 0.85 JAK1 (0.43) JAK2JAK1TYK2JAK3BTK
SCHEMBL5956648 0.85 JAK2 (0.44) JAK2JAK1TYK2ROCK2GSK3B
SCHEMBL5956625 0.83 DNMT1 (0.38) JAK2JAK1TYK2DNMT1DNMT3A
SCHEMBL5956632 0.83 DNMT1 (0.38) JAK2JAK1TYK2DNMT1DNMT3A
SCHEMBL5956725 0.81 POLB (0.51) ROCK2DNMT1DNMT3A
SCHEMBL2855653 0.79 ROCK2 (0.51) JAK2JAK1TYK2ROCK2GSK3B
SCHEMBL2855646 0.79 ROCK2 (0.51) JAK2JAK1TYK2ROCK2GSK3B
SCHEMBL4442282 0.79 ROCK2 (0.51) JAK2JAK1TYK2ROCK2GSK3B
SCHEMBL5956643 0.78 DNMT1 (0.34) DNMT1DNMT3ASMN1; SMN2SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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 (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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 JAK2 585/4885JAK1 490/4885TYK2 354/4885

“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.