SCHEMBL23920892

SCHEMBL23920892

CN(C)c1cccc2c([S@](=S)S)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.44
▸ NEK2 P51955 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ CA2 P00918 1/20 0.42
▸ EP300 Q09472 1/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ KAT8 Q9H7Z6 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ F2 P00734 3/20 0.36
▸ PRSS1 P07477 3/20 0.36
▸ PRSS2 P07478 3/20 0.36

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
SCHEMBL8720110 0.77 CHEK1 (0.65) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL30096384 0.74 CA2 (0.46) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5189974 0.70 CHEK1 (0.52) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL30364675 0.68 CYP1A2 (0.43) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL8990307 0.67 CHEK1 (0.73) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29919884 0.67 CHEK1 (0.73) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL469267 0.67 CYP1A2 (0.62) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL2886998 0.67 CHEK1 (0.79) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL31689542 0.67 CHEK1 (0.79) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29922382 0.67 CHEK1 (0.79) CHEK1NEK2LIMK1DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 — — US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 — — US disclosed
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2021-10-14 — — 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 (3 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-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 CHEK1 639/4885NEK2 459/4885LIMK1 800/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 CHEK1 639/4885NEK2 459/4885LIMK1 800/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 CHEK1 639/4885NEK2 459/4885LIMK1 800/4885

“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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