SCHEMBL6344004

SCHEMBL6344004

CN1CCN(c2ccc(-c3[nH]nc4c3C(=O)c3c(NC(=O)NN(C)c5nccs5)cccc3-4)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.53
CCND1 P24385 20/20 0.53
CDK2 P24941 8/20 0.52
CCNE2 O96020 7/20 0.52
CCNE1 P24864 7/20 0.52
CCNB2 O95067 1/20 0.50
ABL1 P00519 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CCNA1 P78396 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50

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
SCHEMBL6344001 0.94 CDK4 (0.60) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL6341299 0.93 CDK4 (0.53) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7662345 0.88 CDK4 (0.63) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL6352506 0.88 CDK4 (0.52) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL6346628 0.88 CDK4 (0.52) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL6341289 0.87 CDK4 (0.58) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL6343079 0.86 CDK4 (0.52) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL6343063 0.84 CDK4 (0.57) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL6340767 0.83 CDK4 (0.55) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7664909 0.82 CDK4 (0.69) CDK4CCND1CDK2CCNE2CCNE1

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 37/4885CDK2 10/4885

“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.