SCHEMBL1872078

SCHEMBL1872078

CC(C)COC(=O)N1CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 1/20 0.51
▸ TIPARP Q7Z3E1 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ PTPN11 Q06124 1/20 0.40
▸ ACACB O00763 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL20425032 0.77 MEN1 (0.53) GPR119PPARGNR2E3NCOR2PTPN11
SCHEMBL712231 0.77 GPR119 (0.60) PANK3GPR119PTPN11MEN1KMT2A
SCHEMBL3840018 0.77 GRIN2B (0.50) KDM4EHSD17B10GPR119ACACB
SCHEMBL12820444 0.76 PANK3 (0.47) PANK3TIPARPKDM4EHSD17B10GPR119
SCHEMBL1873797 0.75 SMN1; SMN2 (0.46) PANK3TIPARPKDM4EHSD17B10GPR119
SCHEMBL11160876 0.75 MEN1 (0.52) KDM4EHSD17B10KITPTPN11MEN1
SCHEMBL1433484 0.75 PANK3 (0.54) PANK3TIPARPHSD17B10PPARGNR2E3
SCHEMBL3530584 0.75 PANK3 (0.59) PANK3KDM4EKITPTPN11MEN1
SCHEMBL1872697 0.74 HRH2 (0.43) GPR119KITMEN1KMT2AHRH2
SCHEMBL3799545 0.74 MEN1 (0.47) KDM4EKITMEN1KMT2AHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962830-B1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC (US) 2013-03-27 — — EP disclosed
EP-2496557-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GlaxoSmithKline LLC (US) 2012-09-12 — — EP disclosed
WO-2011054841-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2011-05-12 — — WO disclosed
US-7605266-B2 Azaindole inhibitors of Aurora kinases SMITHKLINE BEECHAM (US) 2009-10-20 — — US disclosed
US-7495102-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORPORATION (US) 2009-02-24 — — US disclosed
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides GLAXOSMITHKLINE LLC 2008-12-11 — — US disclosed
EP-1962830-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-09-03 — — EP disclosed
US-7419988-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2008-09-02 — — US disclosed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 — — US disclosed
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2008-01-03 — — US disclosed
US-7282588-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM (US) 2007-10-16 — — US disclosed
WO-2007076348-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 — — WO disclosed
US-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2007-06-28 — — 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 (4 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-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PANK3 774/4885TIPARP 1331/4885KDM4E 317/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PANK3 774/4885TIPARP 1331/4885KDM4E 317/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PANK3 774/4885TIPARP 1331/4885KDM4E 317/4885
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides AURKA, AURKC, AURKB PANK3 653/4885TIPARP 1964/4885KDM4E 95/4885

“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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