SCHEMBL22252588

SCHEMBL22252588

CC(C)c1ccn(CC2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 16/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL22252587 0.91 IRAK4 (0.38) HTR4KCNH2CNR2
SCHEMBL22252589 0.91 IRAK4 (0.38) HTR4KCNH2CNR2
SCHEMBL22252592 0.91 IRAK4 (0.38) HTR4KCNH2CNR2
SCHEMBL23194296 0.89 MAPT (0.38) HTR4KCNH2CYP3A4CNR2
SCHEMBL19192574 0.80 DRD2 (0.41) CNR2CDC7DAPK3DYRK3ROCK2
SCHEMBL25617367 0.77 KDM4E (0.40) CYP3A4CYP2D6
SCHEMBL25859573 0.77 KDM4E (0.40) CYP3A4CYP2D6
SCHEMBL22680869 0.76 CNR2 (0.40) CNR2
SCHEMBL11914063 0.75 CHRM2 (0.34) —
SCHEMBL15133214 0.74 NR5A2 (0.45) KCNH2MAPK1

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-11174264-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-11-16 — — US disclosed
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — 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 (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-11174264-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 HTR4 3724/4885KCNH2 3995/4885CYP3A4 4404/4885
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HTR4 3724/4885KCNH2 3995/4885CYP3A4 4404/4885

“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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