SCHEMBL12001701

SCHEMBL12001701

COCc1cc(C(C)(O)c2ccc3c(C(=O)N4CCOCC4)nn(-c4ccnc(N)n4)c3c2)no1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.35
▸ NPC1 O15118 7/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ TTBK1 Q5TCY1 4/20 0.34
▸ PIK3CD O00329 5/20 0.33
▸ PIK3CG P48736 5/20 0.33
▸ PIK3R2 O00459 4/20 0.33
▸ PIK3CA P42336 4/20 0.33
▸ PIK3CB P42338 4/20 0.33
▸ PIK3R5 Q8WYR1 4/20 0.33
▸ PIK3R3 Q92569 4/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ DYRK3 O43781 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31

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
SCHEMBL12001688 0.88 TTBK1 (0.36) RAB9ANPC1GRM5TTBK1PIK3CD
SCHEMBL12001592 0.88 TTBK1 (0.36) RAB9ANPC1GRM5TTBK1PIK3CD
SCHEMBL12001597 0.88 TTBK1 (0.36) RAB9ANPC1GRM5TTBK1PIK3CD
SCHEMBL11970640 0.87 PAK4 (0.39) RAB9ANPC1GRM5TTBK1
SCHEMBL12001748 0.83 TTBK1 (0.36) RAB9ANPC1GRM5TTBK1PIK3CD
SCHEMBL12001653 0.83 TTBK1 (0.38) RAB9ANPC1GRM5TTBK1PIK3CD
SCHEMBL12001704 0.83 TTBK1 (0.38) RAB9ANPC1GRM5TTBK1PIK3CD
SCHEMBL12001560 0.83 TTBK1 (0.38) RAB9ANPC1GRM5TTBK1PIK3CD
SCHEMBL12001472 0.82 TTBK1 (0.36) RAB9ANPC1GRM5TTBK1PIK3CD
SCHEMBL12001706 0.82 MAP3K14 (0.38) TTBK1ALDH1A1

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 RAB9A 3349/4885NPC1 2238/4885GRM5 2325/4885

“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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