SCHEMBL2712251

SCHEMBL2712251

CC1(C)CN(c2ncc(Br)cc2N)CCO1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.44
▸ MTOR P42345 3/20 0.44
▸ GAK O14976 1/20 0.40
▸ FFAR2 O15552 9/20 0.39
▸ MAP3K12 Q12852 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ LATS1 O95835 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ C5AR1 P21730 1/20 0.35

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
SCHEMBL25925716 0.85 PIK3CA (0.42) PIK3CAMTORGAKFFAR2MAP3K12
SCHEMBL25931435 0.82 LRRK2 (0.44) PIK3CAMTORFFAR2LRRK2SCN10A
SCHEMBL2711884 0.79 PIK3CA (0.44) PIK3CAMTORGAKFFAR2MAP3K12
SCHEMBL25930722 0.79 PIK3CA (0.37) PIK3CAMTORGAKFFAR2MAP3K12
SCHEMBL2712256 0.79 ALDH1A1 (0.45) PIK3CAMTORGAKFFAR2LRRK2
SCHEMBL2710577 0.78 KDM4E (0.46) PIK3CAMTORLRRK2
SCHEMBL12235999 0.77 PIK3CA (0.47) PIK3CAMTORGAKFFAR2MAP3K12
SCHEMBL23622936 0.76 PIK3CA (0.44) PIK3CAMTORGAKFFAR2MAP3K12
SCHEMBL12236672 0.76 PIK3CA (0.45) PIK3CAMTORGAKFFAR2MAP3K12
SCHEMBL21513241 0.73 OPRK1 (0.35) —

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 — — EP disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 — — EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 — — US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 — — US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 — — US disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 — — EP disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — WO disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — WO 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 29/4885MTOR 355/4885GAK 116/4885

“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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