SCHEMBL4997553

SCHEMBL4997553

CN(C)CCNC(=O)c1cccc(-c2cncc(Nc3ccc(C#N)c(Cl)c3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.65
FYN P06241 3/20 0.49
FGFR2 P21802 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
MAPK14 Q16539 1/20 0.47
CSNK2A1 P68400 2/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
PDE4B Q07343 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
BRAF P15056 2/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.43
YES1 P07947 1/20 0.42
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
CCNT1 O60563 1/20 0.42

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
SCHEMBL4992158 0.87 KDR (0.71) KDRFYNFGFR2MAPK8MAPK10
SCHEMBL5000392 0.86 KDR (0.74) KDRFYNFGFR2MAPK8MAPK10
SCHEMBL4997123 0.85 KDR (0.88) KDRFYNFGFR2MAPK8MAPK10
SCHEMBL4672616 0.79 KDR (1.00) KDRFGFR2CSNK2A1BRAFPDGFRB
SCHEMBL2933512 0.79 KDR (0.68) KDRFYNFGFR2CSNK2A1BRAF
SCHEMBL2927120 0.74 FYN (0.62) KDRFYNFGFR2ABL1BRAF
SCHEMBL4992098 0.73 DRD2 (0.49) KDRFYNPDE4BADORA2AADORA2B
SCHEMBL4194386 0.73 ABL1 (0.49) KDRFYNMAPK8MAPK10MAPK14
SCHEMBL2931471 0.73 KDR (0.59) KDRFYNFGFR2BRAFSRC
SCHEMBL13515288 0.72 KDR (0.56) KDRFYNFGFR2MAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C KDR 2202/4885FYN 20/4885FGFR2 1275/4885

“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.