SCHEMBL2712256

SCHEMBL2712256

CC1(C)CN(c2ncc(Br)cc2[N+](=O)[O-])CCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PIK3CA P42336 3/20 0.36
▸ MTOR P42345 3/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ FFAR2 O15552 2/20 0.34
▸ LATS1 O95835 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ GAK O14976 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PRKDC P78527 1/20 0.33

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
SCHEMBL2713051 0.82 CYP1A2 (0.49) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL2713437 0.81 CYP1A2 (0.58) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL25925716 0.80 PIK3CA (0.42) PIK3CAMTORSCN10AFFAR2LATS1
SCHEMBL2712251 0.79 PIK3CA (0.44) PIK3CAMTORSCN10AFFAR2LATS1
SCHEMBL31013306 0.77 ALDH1A1 (0.51) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL31013308 0.77 ALDH1A1 (0.51) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL25931435 0.77 LRRK2 (0.44) ALDH1A1MAPK1PIK3CAMTORSCN10A
SCHEMBL29970002 0.76 MAPK1 (0.51) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL26131586 0.76 MAPK1 (0.51) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL29968906 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1HTTCYP1A2CYP2C9

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 ALDH1A1 4025/4885MAPK1 1029/4885HTT 1225/4885

“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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