SCHEMBL20918453

SCHEMBL20918453

O=C(Nc1nc(-c2ccc(CN3CCS(O)(O)CC3)cc2)c2nc[nH]c2n1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 16/20 0.48
▸ JAK2 O60674 14/20 0.48
▸ TYK2 P29597 4/20 0.48
▸ JAK3 P52333 4/20 0.48
▸ STK10 O94804 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ IRAK1 P51617 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ MERTK Q12866 1/20 0.48
▸ AAK1 Q2M2I8 1/20 0.48
▸ Q6ZSR9 Q6ZSR9 1/20 0.48
▸ ADCK1 Q86TW2 1/20 0.48

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
SCHEMBL20918455 0.93 JAK1 (0.56) JAK1JAK2TYK2JAK3STK10
SCHEMBL20930854 0.86 JAK1 (0.45) JAK1JAK2TYK2JAK3STK10
SCHEMBL20918792 0.75 JAK1 (0.55) JAK1JAK2JAK3
SCHEMBL30356243 0.75 JAK1 (0.55) JAK1JAK2JAK3
SCHEMBL30356056 0.74 JAK1 (0.71) JAK1ABL1
SCHEMBL20930670 0.74 JAK1 (0.51) JAK1MERTK
SCHEMBL20918015 0.74 JAK1 (0.71) JAK1ABL1
SCHEMBL20918456 0.73 JAK1 (0.41) JAK1ABL1
SCHEMBL20919114 0.73 JAK2 (0.46) JAK1JAK2JAK3AAK1BMP2K
SCHEMBL30356176 0.73 JAK2 (0.46) JAK1JAK2JAK3AAK1BMP2K

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 83/4885JAK2 61/4885TYK2 174/4885
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor MAP3K20, MAP3K15, MAP3K1 JAK1 83/4885JAK2 61/4885TYK2 174/4885

“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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