SCHEMBL4311967

SCHEMBL4311967

O=S(=O)(c1ccccc1)n1c(-c2ccc(N3CCOCC3)nc2)cc2c(Br)ccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.43
AKT1 P31749 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PIK3CD O00329 3/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
MTOR P42345 2/20 0.41
CNR2 P34972 3/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
ERN1 O75460 1/20 0.41
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4316854 0.89 PKM (0.44) PIK3CAAKT1ALDH1A1MTORABL1
SCHEMBL4323609 0.84 HTR1A (0.42) PIK3CAAKT1ALDH1A1MTORABL1
SCHEMBL17289731 0.84 SMN1; SMN2 (0.39) ALDH1A1ABL1BCRATRATRIP
SCHEMBL17306368 0.82 PKM (0.42) PIK3CAAKT1ALDH1A1MTORABL1
SCHEMBL4311883 0.81 TSHR (0.43) ALDH1A1PIK3CDMTORLMNA
SCHEMBL29941106 0.80 CA12 (0.42) ALDH1A1
SCHEMBL17289842 0.80 CA12 (0.42) ALDH1A1
SCHEMBL17290071 0.79 ABL1 (0.43) PIK3CAAKT1ALDH1A1MTORABL1
SCHEMBL17289752 0.78 HTR6 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL4316470 0.78 HTR6 (0.47) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
US-10259811-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-16 US disclosed
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-01-17 US disclosed
US-10072001-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-09-11 US disclosed
EP-3152210-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-04-12 EP disclosed
WO-2015187684-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-10 WO disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
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
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
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 (8 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS PIK3CA 412/4885AKT1 148/4885ALDH1A1 4260/4885
US-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PIK3CA 155/4885AKT1 580/4885ALDH1A1 1793/4885
US-10259811-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS PIK3CA 412/4885AKT1 148/4885ALDH1A1 4260/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PIK3CA 155/4885AKT1 580/4885ALDH1A1 1793/4885
US-10072001-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS PIK3CA 412/4885AKT1 148/4885ALDH1A1 4260/4885
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS PIK3CA 412/4885AKT1 148/4885ALDH1A1 4260/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PIK3CA 155/4885AKT1 580/4885ALDH1A1 1793/4885
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 PIK3CA 323/4885AKT1 1058/4885ALDH1A1 1043/4885

“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.