SCHEMBL22276465

SCHEMBL22276465

CC(C)c1cn(C(C)CCC(C)c2cn(C(C)C)c3ncccc23)c2cnccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.40
▸ NFATC1 O95644 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ PDPK1 O15530 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ IKBKE Q14164 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ KCNH2 Q12809 1/20 0.31
▸ RET P07949 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ TYK2 P29597 1/20 0.30

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
SCHEMBL24117380 0.93 PDPK1 (0.36) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL12874831 0.78 PDE4A (0.41) DYRK1AGSK3BKCNH2RETKDR
SCHEMBL12874842 0.77 DYRK1A (0.62) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL24117382 0.72 NFATC1 (0.35) DYRK1ANFATC1GSK3B
SCHEMBL24117379 0.66 NFATC1 (0.50) DYRK1ANFATC1GSK3B
SCHEMBL16640342 0.65 CDK4 (0.41) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL820570 0.64 DYRK1A (0.47) DYRK1AGSK3B
SCHEMBL16019431 0.64 DYRK1A (0.56) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL12874893 0.64 NPC1 (0.44) —
SCHEMBL18993230 0.64 DYRK1A (0.49) DYRK1AGSK3B

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-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 — — 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-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 DYRK1A 4407/4885NFATC1 1132/4885GSK3B 2904/4885

“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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