SCHEMBL6073384

SCHEMBL6073384

CC(C)[C@H](CO)NC(=O)Nc1ccc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 3/20 0.49
CDK2 P24941 3/20 0.49
CCNK O75909 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK9 P50750 1/20 0.49
CDK6 Q00534 1/20 0.49
SYK P43405 5/20 0.47
CDK4 P11802 4/20 0.46
CCND1 P24385 4/20 0.46
CCND2 P30279 2/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK3 P52333 3/20 0.43
JAK2 O60674 2/20 0.43
CCNE1 P24864 2/20 0.42
NAMPT P43490 1/20 0.42
CDK1 P06493 1/20 0.42

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
SCHEMBL6074236 0.91 CDK2 (0.53) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6074119 0.90 CDK2 (0.48) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6073911 0.86 CDK2 (0.54) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6073563 0.85 CDK4 (0.50) CCND3CDK2CCNA2CDK9CDK6
SCHEMBL6073647 0.85 CDK2 (0.56) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6073490 0.85 CCND3 (0.50) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL7503346 0.85 CCND3 (0.47) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6074138 0.83 CDK2 (0.58) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6074107 0.83 CDK2 (0.51) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6073855 0.82 CDK4 (0.54) CCND3CDK2CCNKCCNA2CDK9

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
US-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 US disclosed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 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-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors CDK9, CDK19, CDK3 CCND3 98/4885CDK2 5/4885CCNK 7/4885

“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.