SCHEMBL20918456

SCHEMBL20918456

O=C(Nc1nc(-c2ccc(C(O)(O)N3CCSCC3)cc2)c2nc[nH]c2n1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 17/20 0.41
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ GSK3B P49841 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ABL1 P00519 1/20 0.35

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
SCHEMBL20930446 0.74 JAK1 (0.51) JAK1
SCHEMBL20930670 0.74 JAK1 (0.51) JAK1ADORA2AADORA1
SCHEMBL20918455 0.73 JAK1 (0.56) JAK1ABL1
SCHEMBL20918453 0.73 JAK1 (0.48) JAK1ABL1
SCHEMBL20496646 0.72 JAK2 (0.65) JAK1GSK3B
SCHEMBL20930854 0.72 JAK1 (0.45) JAK1ABL1
SCHEMBL20918015 0.72 JAK1 (0.71) JAK1ABL1
SCHEMBL30356056 0.72 JAK1 (0.71) JAK1ABL1
SCHEMBL20917955 0.72 JAK1 (0.71) JAK1
SCHEMBL20918119 0.71 JAK1 (0.74) JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 — — US claimed
US-20210171544-A1 Heterocyclic Compound as a Protein Kinase Inhibitor HK INNO.N CORPORATION (KR) 2021-06-10 — — US claimed
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 — — US disclosed
US-20210171544-A1 Heterocyclic Compound as a Protein Kinase Inhibitor HK INNO.N CORPORATION (KR) 2021-06-10 — — US disclosed
EP-3697787-A1 HETEROCYCLIC COMPOUND AS A PROTEIN KINASE INHIBITOR HK inno.N Corporation (KR) 2020-08-26 — — EP disclosed
WO-2019078619-A1 HETEROCYCLIC COMPOUND AS A PROTEIN KINASE INHIBITOR CJ HEALTHCARE CORPORATION (KR) 2019-04-25 — — WO 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-20210171544-A1 Heterocyclic Compound as a Protein Kinase Inhibitor MAP3K20, MAP3K15, MAP3K1 JAK1 83/4885ADORA2A 3930/4885ADORA1 4351/4885
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor MAP3K20, MAP3K15, MAP3K1 JAK1 83/4885ADORA2A 3930/4885ADORA1 4351/4885

“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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