SCHEMBL4318186

SCHEMBL4318186

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
GRM1 Q13255 11/20 0.47
GRM5 P41594 11/20 0.47
PDK4 Q16654 1/20 0.44
TNK2 Q07912 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40
EZH2 Q15910 1/20 0.40
NAMPT P43490 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL16036262 0.93 KIT (0.46) HTR6GRM1GRM5PDK4GPR119
SCHEMBL4316687 0.88 ALDH1A1 (0.38) HTR6CCNT1CDK9
SCHEMBL16039939 0.86 HTR6 (0.51) HTR6GRM1GRM5PDK4CCNT1
SCHEMBL5001708 0.85 HTR6 (0.53) HTR6GRM1GRM5PDK4TNK2
SCHEMBL16040944 0.84 HTR6 (0.49) HTR6GRM1GRM5PDK4TNK2
SCHEMBL16035864 0.83 KIT (0.46) HTR6GRM1GRM5PDK4GPR119
SCHEMBL16040458 0.83 HTR6 (0.51) HTR6GRM1GRM5PDK4GPR119
SCHEMBL16039506 0.83 CCNT1 (0.55) HTR6CCNT1CDK9
SCHEMBL16040507 0.79 CDK9 (0.46) HTR6GRM1GRM5PDK4GPR119
SCHEMBL17535060 0.79 CDK9 (0.51) CCNT1CDK9

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
US-9328112-B2 Tetracyclic CDK9 kinase inhibitors ABBVIE INC. (US) 2016-05-03 US disclosed
US-20150218165-A1 TETRACYCLIC CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2015-08-06 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 (5 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 HTR6 4070/4885GRM1 3834/4885GRM5 3331/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB HTR6 4070/4885GRM1 3834/4885GRM5 3331/4885
US-20150218165-A1 TETRACYCLIC CDK9 KINASE INHIBITORS CDK9, CDK19, CDK1 HTR6 4499/4885GRM1 3110/4885GRM5 3656/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB HTR6 4070/4885GRM1 3834/4885GRM5 3331/4885
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 HTR6 4631/4885GRM1 3869/4885GRM5 4558/4885

“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.