SCHEMBL5101427

SCHEMBL5101427

CNC(=O)n1ccc2c(Nc3cc(N)ncn3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.38
KDR P35968 5/20 0.35
SYK P43405 2/20 0.35
TNNI3K Q59H18 2/20 0.34
S1PR1 P21453 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
CDK5 Q00535 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5R1 Q15078 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
INSR P06213 4/20 0.34
LCK P06239 4/20 0.34
LYN P07948 4/20 0.34
SRC P12931 4/20 0.34

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
SCHEMBL5102737 0.85 KDR (0.41) KDRS1PR1CDK5CDK1CCNB1
SCHEMBL5108423 0.78 KDR (0.45) KDRTNNI3KMAPK14
SCHEMBL5108280 0.77 L3MBTL3 (0.40)
SCHEMBL5115219 0.76 FGFR1 (0.39)
SCHEMBL5113936 0.76 EGFR (0.40) KDRINSRLCKLYNSRC
SCHEMBL5104598 0.76 KDR (0.43) KDRCDK5CDK1CCNB1CCNA2
SCHEMBL5104226 0.76 CDK5 (0.42) MKNK2KDRTNNI3KCDK5CDK1
SCHEMBL27628344 0.74 SLC34A1 (0.39) MAPK14PIP4K2APIK3CG
SCHEMBL6038653 0.69 RAF1 (0.40) KDRTNNI3KMAPK14
SCHEMBL1095160 0.67 ALDH1A1 (0.46) MKNK2SYKTNNI3KCDK5CDK1

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-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
CN-100339376-C Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2007-09-26 CN disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 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
CN-1678607-A Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2005-10-05 CN 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 MKNK2 3938/4885KDR 1940/4885SYK 2272/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 MKNK2 3938/4885KDR 1940/4885SYK 2272/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 MKNK2 3938/4885KDR 1940/4885SYK 2272/4885

“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.