SCHEMBL8426673

SCHEMBL8426673

Cc1csc(Nc2nccn3c(C4C=NN(C)C4)cnc23)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.56
▸ AURKB Q96GD4 6/20 0.56
▸ ADORA3 P0DMS8 13/20 0.36
▸ SYK P43405 1/20 0.33

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
SCHEMBL14533966 0.83 AURKA (0.37) AURKAAURKBADORA3
SCHEMBL14533910 0.78 AURKA (0.35) AURKAAURKBADORA3
SCHEMBL8429700 0.78 AURKA (0.63) AURKAAURKBADORA3
SCHEMBL14533909 0.77 AURKA (0.34) AURKAAURKBADORA3
SCHEMBL8427761 0.77 AURKA (0.36) AURKAAURKBADORA3
SCHEMBL12473231 0.76 AURKA (0.34) AURKAAURKBADORA3SYK
SCHEMBL14534093 0.74 AURKA (0.53) AURKAAURKBADORA3
SCHEMBL8426788 0.73 AURKA (0.35) AURKAADORA3
SCHEMBL8429587 0.72 ADORA3 (0.38) AURKAAURKBADORA3
SCHEMBL8240332 0.72 AURKA (1.00) AURKAAURKB

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 3 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-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 — — 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 (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-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A AURKA 40/4885AURKB 27/4885ADORA3 2455/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 AURKA 91/4885AURKB 137/4885ADORA3 3961/4885

“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.

Send feedback