SCHEMBL31690865

SCHEMBL31690865

Nc1n[nH]c2ccc(-c3ccncc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 1.00
▸ PDPK1 O15530 4/20 0.75
▸ MKNK1 Q9BUB5 1/20 0.66
▸ JAK3 P52333 4/20 0.56
▸ TYK2 P29597 3/20 0.56
▸ ROCK2 O75116 3/20 0.56
▸ MAP4K4 O95819 3/20 0.56
▸ CDK2 P24941 3/20 0.56
▸ CLK4 Q9HAZ1 3/20 0.56
▸ PLK4 O00444 2/20 0.56
▸ DAPK3 O43293 2/20 0.56
▸ DYRK3 O43781 2/20 0.56
▸ CDK1 P06493 2/20 0.56
▸ MARK3 P27448 2/20 0.56
▸ CLK2 P49760 2/20 0.56
▸ CDK5 Q00535 2/20 0.56
▸ PRKCD Q05655 2/20 0.56
▸ ROCK1 Q13464 2/20 0.56
▸ DYRK1A Q13627 2/20 0.56
▸ PKN2 Q16513 2/20 0.56

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
SCHEMBL10213929 0.89 JAK2 (0.81) JAK2PDPK1JAK3TYK2ROCK2
SCHEMBL6485242 0.86 PDPK1 (1.00) JAK2PDPK1MKNK1JAK3ROCK2
SCHEMBL3359889 0.84 JAK2 (1.00) JAK2PDPK1MKNK1JAK3TYK2
SCHEMBL12907246 0.84 JAK2 (1.00) JAK2PDPK1MKNK1JAK3TYK2
SCHEMBL26886503 0.83 PDPK1 (0.74) JAK2PDPK1JAK3TYK2ROCK2
SCHEMBL730162 0.83 JAK2 (0.69) JAK2PDPK1MKNK1JAK3TYK2
SCHEMBL10213932 0.82 JAK2 (0.72) JAK2PDPK1JAK3TYK2ROCK2
SCHEMBL12907171 0.82 JAK2 (0.72) JAK2PDPK1JAK3TYK2ROCK2
SCHEMBL12907187 0.82 JAK2 (0.72) JAK2PDPK1JAK3TYK2ROCK2
SCHEMBL31240314 0.82 JAK2 (0.68) JAK2PDPK1MKNK1JAK3TYK2

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-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 — — 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB JAK2 207/4885PDPK1 522/4885MKNK1 125/4885

“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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