SCHEMBL16594342

SCHEMBL16594342

CCC(C(=O)O)C1(CC)CCN(c2ccnc(Nc3cnn(C)c3)n2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.46
▸ JAK2 O60674 18/20 0.46
▸ JAK1 P23458 18/20 0.46
▸ JAK3 P52333 7/20 0.46
▸ KDR P35968 1/20 0.44
▸ STAT1 P42224 1/20 0.44

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
SCHEMBL16606006 0.81 JAK2 (0.48) TYK2JAK2JAK1JAK3KDR
SCHEMBL16423457 0.81 TYK2 (0.48) TYK2JAK2JAK1JAK3KDR
Hydrochloric Acid SCHEMBL16423487 0.81 JAK2 (0.48) TYK2JAK2JAK1JAK3KDR
SCHEMBL16593959 0.79 TYK2 (0.47) TYK2JAK2JAK1JAK3KDR
SCHEMBL16606000 0.78 TYK2 (0.50) TYK2JAK2JAK1JAK3KDR
SCHEMBL16423514 0.78 JAK1 (0.47) TYK2JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL16423252 0.77 TYK2 (0.49) TYK2JAK2JAK1JAK3KDR
SCHEMBL16423590 0.76 TYK2 (0.49) TYK2JAK2JAK1JAK3KDR
SCHEMBL16423926 0.76 JAK1 (0.51) TYK2JAK2JAK1JAK3KDR
SCHEMBL16423134 0.76 JAK2 (0.51) TYK2JAK2JAK1JAK3KDR

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-9187453-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 — — US disclosed
US-20150094296-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-02 — — 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-20150094296-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA TYK2 1/4885JAK2 14/4885JAK1 15/4885

“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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