SCHEMBL2984205

SCHEMBL2984205

CC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
PTGDR2 Q9Y5Y4 3/20 0.52
ALOX5 P09917 3/20 0.46
HTR6 P50406 1/20 0.45
COMT P21964 1/20 0.44
PTGS2 P35354 1/20 0.44
GRM4 Q14833 2/20 0.44
ELANE P08246 1/20 0.44
KDM4E B2RXH2 2/20 0.43
UBE2N P61088 1/20 0.43
ENPP3 O14638 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
ALDH3A1 P30838 1/20 0.42
NOD1 Q9Y239 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL1779514 0.84 L3MBTL1 (0.60) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL13239579 0.83 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2LMNAPTGDR2ALOX5
SCHEMBL2979262 0.83 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2LMNAPTGDR2ALOX5
SCHEMBL13302164 0.83 L3MBTL1 (0.59) L3MBTL1PTGDR2HTR6COMTELANE
SCHEMBL2447588 0.82 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2LMNAPTGDR2ALOX5
SCHEMBL20488865 0.82 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2LMNAPTGDR2HTR6
SCHEMBL2024287 0.82 HTR6 (0.56) L3MBTL1SMN1; SMN2PTGDR2HTR6COMT
SCHEMBL1668563 0.82 L3MBTL1 (0.58) L3MBTL1PTGDR2HTR6COMTELANE
SCHEMBL28523210 0.82 L3MBTL1 (0.58) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL12657360 0.82 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2PTGDR2HTR6COMT

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 4 patents. 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
US-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-08 US disclosed
US-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-08 US disclosed
WO-2007107221-A1 4-(PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-09-27 WO 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 862/4885SMN1; SMN2 751/4885LMNA 2863/4885

“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.