SCHEMBL8240997

SCHEMBL8240997

Cn1cc(-c2cnc3c(NCC4CCNC4)nccn23)cn1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 6/20 0.57
▸ AURKA O14965 6/20 0.57
▸ IRAK4 Q9NWZ3 8/20 0.51
▸ IRAK1 P51617 5/20 0.51
▸ SYK P43405 1/20 0.49
▸ TTK P33981 5/20 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
SCHEMBL8246569 0.94 AURKA (0.61) AURKBAURKAIRAK4IRAK1SYK
SCHEMBL14529892 0.89 TTK (0.47) AURKBAURKAIRAK4IRAK1SYK
SCHEMBL8241005 0.80 AURKA (0.64) AURKBAURKAIRAK4TTK
SCHEMBL8240574 0.79 AURKA (0.59) AURKBAURKATTK
SCHEMBL8247604 0.76 TTK (0.58) AURKBAURKAIRAK1TTK
SCHEMBL8249613 0.76 TTK (0.60) AURKBAURKATTK
SCHEMBL8240135 0.76 AURKA (0.58) AURKBAURKATTK
SCHEMBL8240570 0.75 AURKA (0.63) AURKBAURKATTK
SCHEMBL8241241 0.75 AURKA (0.90) AURKBAURKA
SCHEMBL14507668 0.75 AURKB (0.65) AURKBAURKAIRAK4SYKTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2011-07-28 — — US disclosed
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2011-07-28 — — US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 — — US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 — — US disclosed
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
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
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 (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-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A AURKB 27/4885AURKA 40/4885IRAK4 943/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB AURKB 3/4885AURKA 2/4885IRAK4 2539/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 AURKB 137/4885AURKA 91/4885IRAK4 645/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKB 138/4885AURKA 41/4885IRAK4 275/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKB 24/4885AURKA 5/4885IRAK4 451/4885

“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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