SCHEMBL16606012

SCHEMBL16606012

Cn1cc(Nc2nccc(N3CCCC(C)(C)C3=O)n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.50
▸ JAK1 P23458 19/20 0.50
▸ TYK2 P29597 19/20 0.50
▸ JAK3 P52333 4/20 0.48
▸ KDR P35968 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ BTK Q06187 1/20 0.46

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
Hydrochloric Acid SCHEMBL16424402 0.99 JAK2 (0.49) JAK2JAK1TYK2JAK3KDR
SCHEMBL16606000 0.94 TYK2 (0.50) JAK2JAK1TYK2JAK3KDR
Hydrochloric Acid SCHEMBL16423252 0.93 TYK2 (0.49) JAK2JAK1TYK2JAK3KDR
SCHEMBL16423412 0.83 JAK2 (0.53) JAK2JAK1TYK2JAK3KDR
SCHEMBL16606011 0.82 JAK2 (0.52) JAK2JAK1TYK2JAK3KDR
SCHEMBL16606006 0.82 JAK2 (0.48) JAK2JAK1TYK2JAK3KDR
Hydrochloric Acid SCHEMBL16424182 0.81 JAK2 (0.51) JAK2JAK1TYK2JAK3KDR
Hydrochloric Acid SCHEMBL16423487 0.81 JAK2 (0.48) JAK2JAK1TYK2JAK3KDR
SCHEMBL16423134 0.78 JAK2 (0.51) JAK2JAK1TYK2JAK3KDR
SCHEMBL16423514 0.78 JAK1 (0.47) JAK2JAK1TYK2JAK3

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
US-9187453-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 — — US disclosed
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
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 JAK2 14/4885JAK1 15/4885TYK2 1/4885

“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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