SCHEMBL4316153

SCHEMBL4316153

Cn1cc(-c2ccnc3[nH]c(-c4ccc(CN5CCN(CCO)CC5)cc4)cc23)c(-c2ccc(N)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 15/20 0.54
▸ AURKB Q96GD4 15/20 0.54
▸ CDK1 P06493 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ INCENP Q9NQS7 1/20 0.45
▸ TPX2 Q9ULW0 1/20 0.45
▸ CHUK O15111 2/20 0.45
▸ MAPK8 P45983 2/20 0.45
▸ CAMKK2 Q96RR4 2/20 0.45
▸ INSR P06213 1/20 0.44
▸ BTK Q06187 2/20 0.44

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
SCHEMBL4317363 0.92 AURKA (0.51) AURKAAURKBCDK1CDK2CASP3
SCHEMBL4312240 0.92 AURKA (0.65) AURKAAURKBINCENPTPX2
SCHEMBL4308157 0.86 AURKB (0.74) AURKAAURKBINCENPTPX2
SCHEMBL4312236 0.85 AURKA (0.64) AURKAAURKBCDK1CDK2CASP3
SCHEMBL4310103 0.85 AURKA (0.63) AURKAAURKBINCENPTPX2
SCHEMBL4306882 0.85 AURKA (0.66) AURKAAURKBINCENPTPX2
SCHEMBL4311298 0.82 AURKA (0.64) AURKAAURKBINCENPTPX2CHUK
SCHEMBL4305200 0.82 AURKA (0.74) AURKAAURKBINCENPTPX2
SCHEMBL4310634 0.82 AURKA (0.58) AURKAAURKBCDK1CDK2CASP3
SCHEMBL4322007 0.82 AURKA (0.50) AURKAAURKBINCENPTPX2CHUK

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 9 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
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 (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 AURKA 1/4885AURKB 3/4885CDK1 6/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885CDK1 6/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885CDK1 6/4885
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 AURKA 1/4885AURKB 3/4885CDK1 4/4885

“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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