SCHEMBL6033848

SCHEMBL6033848

COc1cc(Nc2ncc(C#N)c(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.56
FLT3 P36888 3/20 0.56
CDK7 P50613 2/20 0.56
CCNH P51946 2/20 0.56
MNAT1 P51948 2/20 0.56
CCNB1 P14635 1/20 0.56
EGFR P00533 4/20 0.53
PTK2 Q05397 2/20 0.51
RET P07949 1/20 0.50
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
PDGFRB P09619 3/20 0.49
SRC P12931 3/20 0.48
KDR P35968 6/20 0.47
KIT P10721 2/20 0.46
FLT4 P35916 2/20 0.46
GAK O14976 1/20 0.45
ALK Q9UM73 1/20 0.45

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
SCHEMBL6034114 0.81 KDR (0.70) CDK1PTK2JAK2KDRALK
SCHEMBL6033895 0.80 CDK1 (0.64) CDK1FLT3CDK7CCNHMNAT1
SCHEMBL21549440 0.79 CDK7 (0.57) CDK1FLT3CDK7CCNHMNAT1
SCHEMBL4518219 0.78 RET (0.79) CDK1FLT3CDK7CCNB1EGFR
Diethylamine SCHEMBL7264463 0.77 PTK2 (0.53) CDK1EGFRPTK2JAK2SRC
SCHEMBL14663329 0.77 EGFR (0.60) CDK1FLT3CDK7CCNHMNAT1
SCHEMBL29232127 0.77 ALK (0.54) CDK1FLT3CDK7CCNHMNAT1
SCHEMBL30956858 0.77 ALK (0.54) CDK1FLT3CDK7CCNHMNAT1
SCHEMBL11990226 0.75 PLK1 (0.48) CDK1FLT3CDK7CCNHMNAT1
SCHEMBL6033934 0.74 PTK2 (0.52) CDK1PTK2JAK2KDR

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
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US 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
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 WO 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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CDK1 58/4885FLT3 21/4885CDK7 455/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CDK1 59/4885FLT3 26/4885CDK7 442/4885

“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.