SCHEMBL5102208

SCHEMBL5102208

Cc1c(C)n(C(N)=O)c2cc(Nc3cc(N)ncn3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5R1 Q15078 1/20 0.42
TAOK1 Q7L7X3 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DOT1L Q8TEK3 1/20 0.39
SCN9A Q15858 1/20 0.38
KMO O15229 1/20 0.38
MKNK2 Q9HBH9 1/20 0.34
BCL6 P41182 1/20 0.34
EGFR P00533 6/20 0.34
ERBB3 P21860 6/20 0.34
ALDH1A1 P00352 2/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
CCNT1 O60563 2/20 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
SCHEMBL5108790 0.77 CYP3A4 (0.44) EGFRMAPTCD274
SCHEMBL5115932 0.71 EGFR (0.44) EGFRERBB3ALDH1A1ABL1
SCHEMBL13064955 0.68 CDK5 (0.61) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL5104226 0.67 CDK5 (0.42) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL5102204 0.67 CDK5 (0.41) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL5108312 0.65 CDK5 (0.40) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL5104598 0.65 KDR (0.43) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL3088444 0.65 MAPT (0.50) ALDH1A1MAPTMEN1KMT2A
SCHEMBL8798667 0.64 EGFR (0.61) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL5108313 0.64 CDK5 (0.42) CDK5CDK1CCNB1CCNA2CCNE1

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
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CDK5 1725/4885CDK1 1042/4885CCNB1 737/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CDK5 1725/4885CDK1 1042/4885CCNB1 737/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CDK5 1725/4885CDK1 1042/4885CCNB1 737/4885

“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.