SCHEMBL2979262

SCHEMBL2979262

Cc1ccc(S(=O)(=O)n2cc(C(=O)C=CN(C)C)c3cccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.44
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALOX5 P09917 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KDM4E B2RXH2 2/20 0.39
UBE2N P61088 1/20 0.39
HTR6 P50406 2/20 0.39
PTGS2 P35354 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
SCHEMBL13239579 1.00 L3MBTL1 (0.46) L3MBTL1PTGDR2CA2CA9ALOX5
SCHEMBL2984205 0.83 L3MBTL1 (0.55) L3MBTL1PTGDR2CA2CA9ALOX5
SCHEMBL1666450 0.83 ENPP3 (0.40) L3MBTL1PTGDR2CA2CA9ALOX5
SCHEMBL30301159 0.83 ENPP3 (0.40) L3MBTL1PTGDR2CA2CA9ALOX5
SCHEMBL8944119 0.83 ENPP3 (0.40) L3MBTL1PTGDR2CA2CA9ALOX5
SCHEMBL28905353 0.81 ALOX5 (0.41) L3MBTL1CA2CA9ALOX5HDAC1
SCHEMBL28502871 0.78 ALOX5 (0.44) L3MBTL1CA2CA9ALOX5HDAC1
SCHEMBL2979261 0.77 CA2 (0.52) L3MBTL1PTGDR2CA2CA9HDAC1
SCHEMBL1779514 0.76 L3MBTL1 (0.60) L3MBTL1PTGDR2KDM4EUBE2NHTR6
SCHEMBL28502706 0.75 ALOX5 (0.41) PTGDR2CA2CA9ALOX5HDAC1

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-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-08 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-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MKI67, CDK4, CCNT1 L3MBTL1 862/4885PTGDR2 343/4885CA2 2517/4885

“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.