SCHEMBL27065822

SCHEMBL27065822

CS(=O)(=O)N1CCC(Nc2ncc3cccc(N4CC5(CNCC5(F)F)C4)c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.45
CCND1 P24385 11/20 0.45
CDK4 P11802 10/20 0.45
CDK1 P06493 4/20 0.45
CCNE1 P24864 19/20 0.45
CDK6 Q00534 10/20 0.44
CCNT1 O60563 6/20 0.44
CDK9 P50750 6/20 0.44
CCNB1 P14635 3/20 0.42
CCND3 P30281 3/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 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
SCHEMBL30804784 1.00 CDK2 (0.45) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27062122 0.85 CDK2 (0.47) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL30726215 0.85 CCNE1 (0.46) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27033606 0.85 CCNE1 (0.46) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL30726216 0.85 CCNE1 (0.46) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27033309 0.84 CDK2 (0.47) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL30726221 0.84 CDK2 (0.47) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27061975 0.84 CDK2 (0.47) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL30726193 0.83 CDK2 (0.47) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27033380 0.83 CDK2 (0.47) CDK2CCND1CDK4CDK1CCNE1

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-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-03-21 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-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDK3, CDK1 CDK2 5/4885CCND1 91/4885CDK4 19/4885

“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.