SCHEMBL8241120

SCHEMBL8241120

Cn1cc(-c2cnc3c(Nc4cccc(OC5CCN(C(=O)OC(C)(C)C)C5)c4)nccn23)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ AURKB Q96GD4 5/20 0.43
▸ USP30 Q70CQ3 1/20 0.42
▸ PIK3CD O00329 7/20 0.42
▸ TTK P33981 2/20 0.42
▸ IRAK1 P51617 1/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MET P08581 1/20 0.40
▸ WNT1 P04628 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 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
SCHEMBL8240704 0.96 AURKA (0.47) AURKAPDE4APDE4BPDE4CPDE4D
SCHEMBL14538354 0.84 PTK6 (0.52) AURKAAURKBPIK3CDTTK
SCHEMBL8247778 0.83 AURKA (0.45) AURKAAURKBTTKIRAK1
SCHEMBL8426674 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DUSP30
SCHEMBL8241171 0.80 AURKA (0.59) AURKAAURKBTTKWNT1GSK3B
SCHEMBL8246328 0.79 AURKA (0.56) AURKAAURKBTTKMETWNT1
SCHEMBL14507329 0.78 AURKA (0.66) AURKAAURKBUSP30IRAK1
SCHEMBL8239866 0.77 AURKA (0.56) AURKAAURKBTTK
SCHEMBL8246690 0.77 AURKA (0.70) AURKAAURKBUSP30TTKCCNA2
SCHEMBL8239849 0.76 AURKA (0.54) AURKAAURKBTTKMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 — — US disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — US disclosed
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 — — 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 (3 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-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 AURKA 91/4885PDE4A 1311/4885PDE4B 1634/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKA 41/4885PDE4A 1264/4885PDE4B 1735/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKA 5/4885PDE4A 2883/4885PDE4B 3349/4885

“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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