SCHEMBL4305036

SCHEMBL4305036

CCOCc1nc2c(Cl)nc(C)c(C)c2n1NC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.38
CDK2 P24941 11/20 0.38
CCND1 P24385 7/20 0.38
CDK6 Q00534 7/20 0.38
CDK4 P11802 4/20 0.38
IKBKB O14920 1/20 0.33
LRRK2 Q5S007 4/20 0.33
ALDH1A1 P00352 1/20 0.33
CCNE2 O96020 3/20 0.33
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
LMNA P02545 1/20 0.31
CCND3 P30281 1/20 0.31
PDCD1 Q15116 1/20 0.30

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
SCHEMBL4301136 0.89 CDK2 (0.38) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL4299589 0.85
SCHEMBL4790631 0.83
SCHEMBL4302583 0.83 TLR7 (0.33)
SCHEMBL4302863 0.76 MAPK1 (0.30)
SCHEMBL4299545 0.76
SCHEMBL13663022 0.74 CCND1 (0.35) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL4303866 0.73 TLR7 (0.31)
SCHEMBL5806536 0.73 TLR7 (0.37)
SCHEMBL13663014 0.73 TLR7 (0.37)

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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS IL2, IL4I1, IFNG CCNE1 1972/4885CDK2 438/4885CCND1 2212/4885

“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.