SCHEMBL12001688

SCHEMBL12001688

Cc1cc([C@@](C)(O)c2ccc3c(C(=O)N4CCOCC4)nn(-c4ccnc(N)n4)c3c2)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 4/20 0.36
▸ MAP3K14 Q99558 5/20 0.36
▸ DYRK3 O43781 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 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
SCHEMBL12001597 1.00 TTBK1 (0.36) TTBK1MAP3K14DYRK3DYRK1ADYRK2
SCHEMBL12001592 1.00 TTBK1 (0.36) TTBK1MAP3K14DYRK3DYRK1ADYRK2
SCHEMBL12001706 0.94 MAP3K14 (0.38) TTBK1MAP3K14ALDH1A1TSHR
SCHEMBL12001701 0.88 RAB9A (0.35) TTBK1DYRK3DYRK1ADYRK2MAPT
SCHEMBL12001472 0.88 TTBK1 (0.36) TTBK1MAP3K14DYRK3DYRK1ADYRK2
SCHEMBL12526051 0.87 MAP3K14 (0.44) TTBK1MAP3K14
SCHEMBL12001748 0.87 TTBK1 (0.36) TTBK1DYRK3DYRK1ADYRK2MAPT
SCHEMBL12001653 0.86 TTBK1 (0.38) TTBK1DYRK3DYRK1ADYRK2MAPT
SCHEMBL12001560 0.86 TTBK1 (0.38) TTBK1DYRK3DYRK1ADYRK2MAPT
SCHEMBL12001704 0.86 TTBK1 (0.38) TTBK1DYRK3DYRK1ADYRK2MAPT

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-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 915/4885MAP3K14 519/4885DYRK3 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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