SCHEMBL6034016

SCHEMBL6034016

N#Cc1cnc(Nc2ccc(OCCn3ccnc3)cc2)nc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.62
CDK1 P06493 10/20 0.62
TBXAS1 P24557 4/20 0.54
EGFR P00533 2/20 0.51
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
SRC P12931 1/20 0.51
PRKCA P17252 1/20 0.51
PRKCD Q05655 1/20 0.51
LTA4H P09960 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL6034281 0.87 KDR (0.70) KDRCDK1TBXAS1EGFRKMT2A
SCHEMBL6033704 0.87 KDR (0.69) KDRCDK1
SCHEMBL6033750 0.86 KDR (0.70) KDRCDK1
SCHEMBL6034280 0.85 CDK1 (0.58) KDRCDK1TBXAS1EGFRABL1
SCHEMBL6033825 0.85 SYK (0.55) KDRCDK1TBXAS1EGFRABL1
SCHEMBL6033778 0.84 JAK3 (0.59) KDRCDK1TBXAS1EGFRABL1
SCHEMBL6033887 0.84 KDR (0.61) KDRCDK1EGFRKMT2A
SCHEMBL6033273 0.84 KDR (0.61) KDRCDK1
SCHEMBL6033811 0.83 KDR (0.74) KDRCDK1
SCHEMBL6033765 0.82 KDR (0.76) KDRCDK1

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 4 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

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 KDR 3/4885CDK1 58/4885TBXAS1 296/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KDR 3/4885CDK1 59/4885TBXAS1 282/4885

“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.