SCHEMBL4311883

SCHEMBL4311883

O=S(=O)(c1ccccc1)n1c(-c2ccc(CN3CCOCC3)cc2)cc2c(Br)ccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
PIK3CD O00329 1/20 0.41
MTOR P42345 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
DCTPP1 Q9H773 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
SYK P43405 1/20 0.38
TGFBR1 P36897 2/20 0.38
JAK2 O60674 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
CA2 P00918 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL1354328 0.91 ALDH1A1 (0.41) TSHRHRH3JAK2ALDH1A1MAPT
SCHEMBL4316854 0.87 PKM (0.44) TSHRMTORTGFBR1JAK2ALDH1A1
SCHEMBL4311173 0.82 MEN1 (0.41) HRH3CA2
SCHEMBL17289842 0.82 CA12 (0.42) ALDH1A1MAPTCA2
SCHEMBL29941106 0.82 CA12 (0.42) ALDH1A1MAPTCA2
SCHEMBL4311967 0.81 PIK3CA (0.43) PIK3CDMTORALDH1A1LMNA
SCHEMBL4323609 0.80 HTR1A (0.42) TSHRMTORJAK2ALDH1A1JAK3
SCHEMBL17289731 0.80 SMN1; SMN2 (0.39) TSHRNPC1RAB9AALDH1A1LMNA
SCHEMBL4305139 0.80 PTGDR2 (0.39) TSHRDCTPP1NPC1CA2
SCHEMBL17289752 0.78 HTR6 (0.44) NPC1RAB9AALDH1A1MAPKAPK2

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-1962830-B1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC (US) 2013-03-27 EP 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 TSHR 3273/4885PIK3CD 196/4885MTOR 291/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB TSHR 3273/4885PIK3CD 196/4885MTOR 291/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB TSHR 3273/4885PIK3CD 196/4885MTOR 291/4885
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 TSHR 2123/4885PIK3CD 418/4885MTOR 196/4885

“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.