SCHEMBL6508089

SCHEMBL6508089

CC(C)(N)c1ccc(-c2nc(Nc3ccc(CCn4ccnc4)cc3)ncc2Cl)cc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 20/20 0.61
KDR P35968 19/20 0.61
CCNT1 O60563 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 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
SCHEMBL6511996 0.92 CDK1 (0.71) CDK1KDR
SCHEMBL6033239 0.80 CDK1 (0.72) CDK1KDR
SCHEMBL7081857 0.80 CDK1 (0.56) CDK1KDR
SCHEMBL6511265 0.79 CDK1 (0.67) CDK1KDR
SCHEMBL6508445 0.78 CDK1 (0.70) CDK1KDR
SCHEMBL6513906 0.77 CDK1 (0.71) CDK1KDR
SCHEMBL6514284 0.76 CDK1 (1.00) CDK1KDR
SCHEMBL6513488 0.76 CDK1 (0.79) CDK1KDR
SCHEMBL6508424 0.76 CDK1 (1.00) CDK1KDR
SCHEMBL6511860 0.76 CDK1 (1.00) 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 2 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

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-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FLT4, FGFR1 CDK1 435/4885KDR 8/4885CCNT1 822/4885

“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.