SCHEMBL5634089

SCHEMBL5634089

O=c1cnc2cnc(Nc3ccc(N4CCC(CCCN5CCOCC5)CC4)c(F)c3)nc2n1C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.52
CDK6 Q00534 4/20 0.52
CCND1 P24385 12/20 0.49
CCND3 P30281 10/20 0.49
CCND2 P30279 8/20 0.49
CDK2 P24941 3/20 0.49
CCNE2 O96020 2/20 0.49
CCNE1 P24864 2/20 0.49
FLT3 P36888 1/20 0.49
JAK3 P52333 3/20 0.48
CCNB2 O95067 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
CCNA2 P20248 2/20 0.47
CCNA1 P78396 1/20 0.47
CYP1A2 P05177 3/20 0.45
USP2 O75604 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 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
SCHEMBL14569228 0.90 JAK3 (0.47) CDK4CDK6CCND1CCND3CCND2
SCHEMBL5634682 0.89 CDK4 (0.66) CDK4CDK6CCND1CCND3CCND2
SCHEMBL7072346 0.88 CDK4 (0.65) CDK4CCND1CCND3CCND2CDK2
SCHEMBL14569229 0.85 FLT3 (0.44) CDK4CDK6CCND1CCND3CCND2
SCHEMBL7072243 0.84 CDK4 (0.57) CDK4CDK6CCND1CCND3CCND2
SCHEMBL5633365 0.81 CDK4 (0.77) CDK4CDK6CCND1CCND3CCND2
SCHEMBL6940887 0.81 CDK4 (0.67) CDK4CCND1CCND3CCND2CCNB2
SCHEMBL7079053 0.80 CDK4 (0.68) CDK4CCND1CCND3CCND2CDK2
SCHEMBL6944978 0.80 CDK4 (0.67) CDK4CCND1CCND3CCND2CDK2
SCHEMBL5269639 0.79 CDK4 (0.65) CDK4CDK6CCND1CCND3CCND2

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
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US claimed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP claimed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US claimed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 WO claimed

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-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 CDK4 5/4885CDK6 16/4885CCND1 32/4885

“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.