SCHEMBL6033778

SCHEMBL6033778

N#Cc1cnc(Nc2ccc(OCCn3ccnc3)cc2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.59
TYK2 P29597 1/20 0.59
CDK1 P06493 5/20 0.54
CCNB1 P14635 1/20 0.54
FLT3 P36888 1/20 0.54
CDK7 P50613 1/20 0.54
CCNH P51946 1/20 0.54
MNAT1 P51948 1/20 0.54
JAK1 P23458 3/20 0.54
TBXAS1 P24557 4/20 0.47
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
JAK2 O60674 1/20 0.44
KDR P35968 4/20 0.44
EGFR P00533 4/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCD Q05655 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
SCHEMBL6034016 0.84 KDR (0.62) CDK1TBXAS1KDREGFRABL1
SCHEMBL6034280 0.80 CDK1 (0.58) CDK1TBXAS1KDREGFRABL1
SCHEMBL6033825 0.79 SYK (0.55) CDK1TBXAS1KDREGFRABL1
SCHEMBL6033895 0.78 CDK1 (0.64) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL6033939 0.77 CDK1 (0.65) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL6034281 0.76 KDR (0.70) CDK1TBXAS1KDREGFR
SCHEMBL21596340 0.73 FLT3 (0.77) JAK3CDK1CCNB1FLT3CDK7
SCHEMBL6033848 0.72 CDK1 (0.56) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL21549440 0.72 CDK7 (0.57) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL6033704 0.72 KDR (0.69) CDK1KDR

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
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 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 (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-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR JAK3 292/4885TYK2 149/4885CDK1 59/4885

“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.