SCHEMBL4312236

SCHEMBL4312236

Nc1ccc(-c2nn(CCO)cc2-c2ccnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 11/20 0.64
▸ AURKB Q96GD4 11/20 0.64
▸ CDK1 P06493 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ CDK9 P50750 1/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ CAMKK2 Q96RR4 4/20 0.52
▸ CHUK O15111 3/20 0.52
▸ MAPK8 P45983 3/20 0.52
▸ INSR P06213 1/20 0.51
▸ CSF1R P07333 3/20 0.51
▸ TBK1 Q9UHD2 1/20 0.48

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
SCHEMBL4311622 0.90 AURKA (0.75) AURKAAURKBCDK1CDK2CASP3
SCHEMBL4312240 0.87 AURKA (0.65) AURKAAURKB
SCHEMBL4320214 0.86 AURKB (0.87) AURKAAURKBCDK1CDK2CASP3
SCHEMBL4316153 0.85 AURKA (0.54) AURKAAURKBCDK1CDK2CASP3
SCHEMBL4313923 0.83 AURKA (0.77) AURKAAURKBTBK1
SCHEMBL4305200 0.83 AURKA (0.74) AURKAAURKB
SCHEMBL4317363 0.82 AURKA (0.51) AURKAAURKBCDK1CDK2CASP3
SCHEMBL4305399 0.79 AURKA (0.72) AURKAAURKBCDK1CDK2CASP3
SCHEMBL4313570 0.79 AURKA (0.83) AURKAAURKB
SCHEMBL13932601 0.79 AURKA (0.74) AURKAAURKBCDK1CDK2CASP3

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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