SCHEMBL10325563

SCHEMBL10325563

COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncnc4c3CCN4)CC23CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 6/20 0.38
▸ JAK1 P23458 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ AKT1S1 Q96B36 3/20 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
SCHEMBL10325843 0.85 JAK3 (0.41) JAK3JAK1AKT1S1
SCHEMBL1046674 0.83 JAK3 (0.57) JAK3JAK1
SCHEMBL1048617 0.74 JAK3 (0.57) JAK3
SCHEMBL1049134 0.73 JAK3 (0.59) JAK3
SCHEMBL1049395 0.72 JAK3 (0.54) JAK3
SCHEMBL10325519 0.71 JAK3 (0.52) JAK3AKT1S1
SCHEMBL1046501 0.71 JAK3 (0.53) JAK3
SCHEMBL1050679 0.71 JAK3 (0.60) JAK3
SCHEMBL1049557 0.71 JAK3 (0.54) JAK3
SCHEMBL323361 0.70 JAK1 (0.55) JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 — — 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 (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-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS JAK1, JAK2, JAK3 JAK3 3/4885JAK1 1/4885NAMPT 3419/4885

“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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