SCHEMBL7066974

SCHEMBL7066974

CCCN(CCC)C(=O)Nc1ccc2cnc(Nc3ccc(N4CCN(C(=O)O)CC4)cc3)nc2n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.45
CDK4 P11802 6/20 0.44
CCND1 P24385 6/20 0.44
CCND2 P30279 3/20 0.44
CCND3 P30281 3/20 0.44
SYK P43405 6/20 0.44
JAK3 P52333 4/20 0.43
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
MAP3K7 O43318 1/20 0.42
JAK2 O60674 1/20 0.41
MAP4K1 Q92918 1/20 0.41

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
SCHEMBL6074561 0.89 CDK4 (0.49) CDK4CCND1CCND2CCND3SYK
SCHEMBL6073333 0.88 CCND3 (0.51) ALKCDK4CCND1CCND2CCND3
SCHEMBL6074107 0.82 CDK2 (0.51) ALKCDK4CCND1CCND2CCND3
SCHEMBL6073858 0.80 CDK4 (0.47) CDK4CCND1CCND2CCND3SYK
SCHEMBL6074378 0.79 SYK (0.56) ALKCDK4CCND1SYKJAK3
SCHEMBL7501284 0.78 SYK (0.51) ALKCDK4CCND1SYKCCNE1
SCHEMBL6073406 0.75 ALK (0.54) ALKCDK4CCND1SYKCCNE1
SCHEMBL6074063 0.75 SYK (0.56) ALKCDK4CCND1SYKJAK3
SCHEMBL6073647 0.74 CDK2 (0.56) ALKCDK4CCND1CCND2CCND3
SCHEMBL6073488 0.74 CDK4 (0.50) CDK4CCND1CCND2CCND3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALK 457/4885CDK4 19/4885CCND1 79/4885

“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.