SCHEMBL12001748

SCHEMBL12001748

CC(O)(c1ccc2c(C(=O)N3CCOCC3)nn(-c3ccnc(N)n3)c2c1)c1ccncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 6/20 0.36
▸ MAPT P10636 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ PIK3R2 O00459 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ PIK3R5 Q8WYR1 2/20 0.32
▸ PIK3R3 Q92569 2/20 0.32
▸ LMNA P02545 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
SCHEMBL12001560 0.87 TTBK1 (0.38) TTBK1MAPTDYRK3DYRK1ADYRK2
SCHEMBL12001704 0.87 TTBK1 (0.38) TTBK1MAPTDYRK3DYRK1ADYRK2
SCHEMBL12001653 0.87 TTBK1 (0.38) TTBK1MAPTDYRK3DYRK1ADYRK2
SCHEMBL12001688 0.87 TTBK1 (0.36) TTBK1MAPTDYRK3DYRK1ADYRK2
SCHEMBL12001597 0.87 TTBK1 (0.36) TTBK1MAPTDYRK3DYRK1ADYRK2
SCHEMBL12001592 0.87 TTBK1 (0.36) TTBK1MAPTDYRK3DYRK1ADYRK2
SCHEMBL11970956 0.86 PAK4 (0.42) TTBK1GRM5PAK4PIKFYVE
SCHEMBL12001757 0.86 TTBK1 (0.37) TTBK1MAPTDYRK3DYRK1ADYRK2
SCHEMBL12001735 0.84 TTBK1 (0.36) TTBK1MAPTDYRK3DYRK1ADYRK2
SCHEMBL12001736 0.84 TTBK1 (0.38) TTBK1MAPTDYRK3DYRK1ADYRK2

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
WO-2012123522-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — 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-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR NFKB1, NFRKB, NFKBIA TTBK1 915/4885MAPT 434/4885DYRK3 1790/4885

“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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