SCHEMBL31472499

SCHEMBL31472499

CC(C)CN1CCC(C(=O)Nc2nccc(-c3cn(C(C)C)c4cnccc34)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.45
▸ DYRK1A Q13627 14/20 0.45
▸ WNT1 P04628 10/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ DYRK2 Q92630 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DYRK4 Q9NR20 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ NFATC1 O95644 1/20 0.40
▸ CCND1 P24385 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.38

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
SCHEMBL25644934 1.00 GSK3B (0.45) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL25421944 0.85 DYRK1A (0.58) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL30461690 0.85 DYRK1A (0.58) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL30461623 0.84 DYRK1A (0.42) GSK3BDYRK1ADYRK3CLK1CLK2
SCHEMBL25421734 0.84 DYRK1A (0.42) GSK3BDYRK1ADYRK3CLK1CLK2
SCHEMBL31472517 0.82 DYRK1B (0.48) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL25644903 0.82 DYRK1B (0.48) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL25643414 0.77 CDK2 (0.35) GSK3BDYRK1AWNT1DYRK1BROCK2
SCHEMBL2228251 0.76 DYRK1A (0.46) GSK3BDYRK1ADYRK1BNFATC1CCND1
SCHEMBL30461606 0.74 BCDIN3D (0.43) CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES INC 2025-03-27 — — 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-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS DYRK2, DYRK1A, DYRK1B GSK3B 80/4885DYRK1A 2/4885WNT1 3005/4885

“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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