SCHEMBL22001503

SCHEMBL22001503

CN(c1ncnc2c1ccn2SI)C1CC2(CC(O)C2)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ JAK1 P23458 14/20 0.32
▸ JAK3 P52333 13/20 0.32
▸ JAK2 O60674 9/20 0.32
▸ TYK2 P29597 6/20 0.32
▸ POLB P06746 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL22001507 0.89 JAK1 (0.34) MEN1KMT2AMAPTJAK1JAK3
SCHEMBL22001733 0.86 JAK2 (0.35) JAK1JAK3JAK2TYK2
SCHEMBL22001669 0.86 MEN1 (0.32) MEN1KMT2AMAPTJAK1JAK3
SCHEMBL22001729 0.86 JAK1 (0.35) JAK1JAK3JAK2TYK2
SCHEMBL22001938 0.83 JAK1 (0.45) JAK1JAK3JAK2TYK2
SCHEMBL22001612 0.83 JAK1 (0.40) JAK1JAK3JAK2TYK2
SCHEMBL22001939 0.80 JAK1 (0.41) JAK1JAK3JAK2TYK2
SCHEMBL24491095 0.78 JAK1 (0.37) MEN1KMT2AMAPTJAK1JAK3
SCHEMBL21448699 0.76 JAK1 (0.41) JAK1JAK3JAK2
SCHEMBL21387017 0.75 MAPK1 (0.37) MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10744136-B2 Sulfonamide derivatives as JAK inhibitors AVISTA PHARMA SOLUTIONS, INC. (US) 2020-08-18 — — US disclosed
US-20200138811-A1 Chemical Compounds AVISTA PHARMA SOLUTIONS INC (US) 2020-05-07 — — 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 (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-20200138811-A1 Chemical Compounds JAK1, JAK3, JAK2 MEN1 4233/4885KMT2A 703/4885MAPT 1727/4885
US-10744136-B2 Sulfonamide derivatives as JAK inhibitors JAK1, JAK3, JAK2 MEN1 4792/4885KMT2A 360/4885MAPT 2884/4885

“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.

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