SCHEMBL6349653

SCHEMBL6349653

CC(C)N1CCN(c2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN(C)C5CCOCC5)cccc3-4)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.62
CCND1 P24385 20/20 0.62
CCNE2 O96020 18/20 0.62
CCNE1 P24864 18/20 0.62
CDK2 P24941 18/20 0.62
CIT O14578 1/20 0.48
GAK O14976 1/20 0.48
CCNT1 O60563 1/20 0.48
STK16 O75716 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 1/20 0.48
CCNB1 P14635 1/20 0.48
ERCC2 P18074 1/20 0.48
CSNK2A2 P19784 1/20 0.48
JAK1 P23458 1/20 0.48
CCND3 P30281 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL6351396 0.97 CDK4 (0.59) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6349662 0.94 CDK4 (0.54) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6342960 0.94 CDK4 (0.61) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6350895 0.92 CDK4 (0.66) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6340975 0.91 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6338348 0.91 CDK4 (0.64) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6341295 0.91 CDK4 (0.64) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6343822 0.89 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6339631 0.88 CDK4 (0.59) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6339613 0.88 CDK4 (0.61) CDK4CCND1CCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020091127-A1 Semicarbazides and their uses BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-11 US claimed
US-6849631-B2 Semicarbazides and their uses BRISTOL MYERS SQUIBB PHARMA COMPANY (US) 2005-02-01 US disclosed
US-20020091127-A1 Semicarbazides and their uses BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-11 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-20020091127-A1 Semicarbazides and their uses CDK1, CCNA1, CDK17 CDK4 12/4885CCND1 37/4885CCNE2 49/4885

“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.