SCHEMBL6519463

SCHEMBL6519463

C=CCOC(=O)NCC(C)c1ccc(-c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.58
KDR P35968 6/20 0.58
EGFR P00533 5/20 0.42
BTK Q06187 3/20 0.42
CAMK2D Q13557 1/20 0.42
JAK3 P52333 3/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
FGFR1 P11362 1/20 0.42
INSR P06213 1/20 0.41
ALK Q9UM73 1/20 0.41
WEE1 P30291 1/20 0.40

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
SCHEMBL6517890 0.87 CDK1 (0.54) CDK1KDRJAK3JAK2JAK1
SCHEMBL6511553 0.85 EGFR (0.41) CDK1KDREGFRBTKJAK3
SCHEMBL6519455 0.85 CDK1 (0.68) CDK1KDREGFRBTKJAK3
SCHEMBL6034007 0.78 CDK1 (0.65) CDK1KDRCAMK2DFGFR1
SCHEMBL20817055 0.77 CDK1 (0.76) CDK1KDRCAMK2DJAK3JAK2
SCHEMBL6888387 0.76 CDK1 (0.47) CDK1KDREGFRBTK
SCHEMBL6510348 0.76 EGFR (0.40) CDK1KDREGFRBTK
SCHEMBL4327703 0.74 CDK1 (1.00) CDK1KDR
SCHEMBL6509043 0.74 CDK1 (0.61) CDK1KDRJAK2
Malic Acid SCHEMBL6531469 0.73 CDK1 (0.80) CDK1KDRCAMK2DJAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222175-B1 4,5-DISUBSTITUTED-2-AMINOPYRIMIDINES CELLTECH R&D LTD (GB) 2005-12-14 EP disclosed
US-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2005-08-04 US disclosed
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2004-11-25 US disclosed
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines DAVIS JEREMY MARTIN (GB) 2003-11-13 US disclosed
US-6600037-B1 The compounds are selective KDR kinase and/or FGFr kinase inhibitors and are of use in the prophylaxis and treatment of disease states associated with angiogenesis. CELLTECH R & D LIMITED (GB) 2003-07-29 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 (3 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-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FLT4, FGFR1 CDK1 435/4885KDR 8/4885EGFR 44/4885
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 CDK1 961/4885KDR 7/4885EGFR 33/4885
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 CDK1 956/4885KDR 7/4885EGFR 33/4885

“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.