SCHEMBL24117380

SCHEMBL24117380

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ NFATC1 O95644 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ PIM1 P11309 1/20 0.32

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
SCHEMBL22276465 0.93 DYRK1A (0.40) PDPK1TGFBR1IKBKETBK1DYRK1A
SCHEMBL820570 0.76 DYRK1A (0.47) KDM4EKDM6BKDM5AKDM4CDYRK1A
SCHEMBL12874842 0.72 DYRK1A (0.62) PDPK1TGFBR1IKBKETBK1DYRK1A
SCHEMBL16019431 0.70 DYRK1A (0.56) PDPK1TGFBR1IKBKETBK1DYRK1A
SCHEMBL12874831 0.70 PDE4A (0.41) KDM4EDYRK1AGSK3BMEN1LMNA
SCHEMBL24117382 0.68 NFATC1 (0.35) DYRK1ANFATC1GSK3B
SCHEMBL15077818 0.68 DYRK1A (0.44) KDM4EKDM6BKDM5AKDM4CDYRK1A
SCHEMBL28879230 0.67 KDM4E (0.36) PDPK1TGFBR1IKBKETBK1KDM4E
SCHEMBL22513727 0.66 AKT1 (0.45) KDM4EDYRK1AGSK3BMEN1LMNA
SCHEMBL23707047 0.65 MAT2A (0.36) DYRK1AGSK3BTLR9TLR8TLR7

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-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 — — 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 (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-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PDPK1 663/4885TGFBR1 2501/4885IKBKE 396/4885

“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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