SCHEMBL8247778

SCHEMBL8247778

Cn1cc(-c2cnc3c(Nc4cccc(OCC5CCCN5C(=O)OC(C)(C)C)c4)nccn23)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.45
▸ AURKB Q96GD4 5/20 0.42
▸ TTK P33981 1/20 0.41
▸ IRAK1 P51617 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ F2RL3 Q96RI0 2/20 0.38
▸ ALOX5AP P20292 2/20 0.38
▸ FGFR3 P22607 1/20 0.37
▸ KDR P35968 1/20 0.37

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
SCHEMBL14538461 0.89 PTK6 (0.48) AURKAAURKBTTKBRD4SIRT2
SCHEMBL8240704 0.84 AURKA (0.47) AURKAAURKBTTKIRAK1
SCHEMBL8241120 0.83 AURKA (0.46) AURKAAURKBTTKIRAK1
SCHEMBL8239849 0.79 AURKA (0.54) AURKAAURKBTTK
SCHEMBL8239801 0.75 AURKA (0.56) AURKAAURKBTTK
SCHEMBL26907633 0.75 ALOX5AP (0.48) F2RL3ALOX5AP
SCHEMBL27116510 0.75 ALOX5AP (0.48) F2RL3ALOX5AP
SCHEMBL8247827 0.73 AURKA (0.53) AURKAAURKBTTKBRD4
SCHEMBL9244811 0.73 ALDH1A1 (0.49) SIRT2ALOX5AP
SCHEMBL14538354 0.73 PTK6 (0.52) AURKAAURKBTTK

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 10 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
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
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO 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
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 91/4885AURKB 137/4885TTK 106/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKA 41/4885AURKB 138/4885TTK 45/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKA 5/4885AURKB 24/4885TTK 69/4885

“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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