SCHEMBL6033199

SCHEMBL6033199

Cc1ccc(S(=O)(=O)OCCOc2ccc(Nc3ncc(C#N)c(-c4cccs4)n3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 11/20 0.54
KDR P35968 8/20 0.54
CCNT1 O60563 7/20 0.44
CCNA2 P20248 7/20 0.44
CDK2 P24941 7/20 0.44
CDK9 P50750 7/20 0.44
CCNA1 P78396 4/20 0.44
CCNB1 P14635 4/20 0.39
CDK7 P50613 4/20 0.39
CCNH P51946 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL6033242 0.90 CDK1 (0.64) CDK1KDRCCNT1CCNA2CDK2
SCHEMBL6033236 0.86 KDR (0.67) CDK1KDRCCNT1CCNA2CDK2
SCHEMBL6034004 0.81 KDR (0.74) CDK1KDRMEN1KMT2AMAPT
SCHEMBL7518599 0.78 CDK1 (0.43) CDK1KDRMEN1KMT2AMAPT
SCHEMBL6034025 0.77 KDR (0.60) CDK1KDRMEN1KMT2AMAPT
SCHEMBL6033219 0.76 KDR (0.67) CDK1KDRCCNT1CCNA2CDK2
SCHEMBL6033867 0.76 KDR (0.48) CDK1KDRCCNT1CCNA2CDK2
SCHEMBL7520533 0.76 KDR (0.62) CDK1KDRMEN1KMT2AMAPT
SCHEMBL6034280 0.75 CDK1 (0.58) CDK1KDRMEN1KMT2AALDH1A1
SCHEMBL6034172 0.74 KDR (0.57) CDK1KDRMEN1KMT2AMAPT

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 58/4885KDR 3/4885CCNT1 215/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CDK1 59/4885KDR 3/4885CCNT1 221/4885

“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.