SCHEMBL2878400

SCHEMBL2878400

CC(C)(C)OC(=O)Nc1ncc(C(O)CN)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 8/20 0.44
CDK2 P24941 8/20 0.44
CDK5 Q00535 5/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CCNE2 O96020 3/20 0.43
CDK1 P06493 2/20 0.43
CDK4 P11802 2/20 0.43
CCNB1 P14635 2/20 0.43
CCND1 P24385 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
P2RY2 P41231 1/20 0.40
CCNT1 O60563 1/20 0.39

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
SCHEMBL31242783 0.87 CCNE1 (0.43) CCNE1CDK2CDK5CA1CA2
SCHEMBL29148603 0.85 CCNE1 (0.41) CCNE1CDK2CDK5CA1CA2
SCHEMBL12027281 0.84 CCNE1 (0.51) CCNE1CDK2CDK5CCNE2CDK1
SCHEMBL17998701 0.83 CDK2 (0.61) CCNE1CDK2CDK5CA1CA2
SCHEMBL1903375 0.82 CCNE1 (0.44) CCNE1CDK2CDK5CA1CA2
SCHEMBL5025187 0.80 CDK2 (0.51) CCNE1CDK2CDK5CA1CA2
SCHEMBL31242713 0.80 CD274 (0.41) CCNE1CDK2CDK5CCNE2CDK1
SCHEMBL31242964 0.80 CCNE1 (0.39) CCNE1CDK2CDK5CA1CA2
SCHEMBL29170444 0.80 CA1 (0.47) CCNE1CDK2CDK5CA1CA2
SCHEMBL21392355 0.80 CCNE1 (0.45) CCNE1CDK2CDK5CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768984-B1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2010-10-20 EP disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1768984-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2007-04-04 EP disclosed
WO-2006036266-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2006-04-06 WO disclosed
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2006-02-16 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 (2 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-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC CCNE1 42/4885CDK2 8/4885CDK5 33/4885
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors AURKA, AURKB, AURKC CCNE1 31/4885CDK2 9/4885CDK5 42/4885

“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.