SCHEMBL2237896

SCHEMBL2237896

Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccnc5c4ccn5S(=O)(=O)c4ccc(C)cc4)ccnc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.62
BRD4 O60885 1/20 0.45
PKM P14618 2/20 0.45
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
ALDH3A1 P30838 1/20 0.43
HTT P42858 1/20 0.43
NOD1 Q9Y239 1/20 0.43
RAPGEF4 Q8WZA2 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
HTR6 P50406 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
UBE2N P61088 1/20 0.39
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL1779961 0.90 L3MBTL1 (0.57) L3MBTL1BRD4PKMCYP2C19POLB
SCHEMBL1749202 0.88 L3MBTL1 (0.62) L3MBTL1BRD4PKMCYP2C19POLB
SCHEMBL12347398 0.87 L3MBTL1 (0.55) L3MBTL1BRD4PKMCYP2C19POLB
SCHEMBL15805310 0.87 L3MBTL1 (0.52) L3MBTL1PKMCYP2C19POLBALDH3A1
SCHEMBL12346589 0.86 L3MBTL1 (0.54) L3MBTL1BRD4PKMCYP2C19POLB
SCHEMBL12354981 0.86 L3MBTL1 (0.54) L3MBTL1BRD4PKMCYP2C19POLB
SCHEMBL1354366 0.86 L3MBTL1 (0.59) L3MBTL1BRD4PKMCYP2C19POLB
SCHEMBL28927986 0.86 L3MBTL1 (0.59) L3MBTL1BRD4PKMCYP2C19POLB
SCHEMBL28735134 0.86 L3MBTL1 (0.59) L3MBTL1BRD4PKMCYP2C19POLB
SCHEMBL30081932 0.86 L3MBTL1 (0.59) L3MBTL1BRD4PKMCYP2C19POLB

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-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 L3MBTL1 1493/4885BRD4 123/4885PKM 689/4885

“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.