SCHEMBL4607766

SCHEMBL4607766

COC(=O)c1cc(C)c(S(=O)(=O)N(C)C2CC2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
PKM P14618 1/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 2/20 0.35

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
SCHEMBL14507410 0.82 MCL1 (0.40) MCL1GAANPC1MEN1KMT2A
SCHEMBL2304762 0.75 MCL1 (0.49) MCL1NPC1MEN1KMT2AHTT
SCHEMBL2305822 0.74 MCL1 (0.51) MCL1GAANPC1MEN1KMT2A
SCHEMBL15881071 0.73 MCL1 (0.53) MCL1GAANPC1MEN1KMT2A
SCHEMBL4607774 0.73 MCL1 (0.46) MCL1MEN1KMT2ALMNAALDH1A1
SCHEMBL4415422 0.71 MCL1 (0.44) MCL1GAAL3MBTL1HTTALDH1A1
SCHEMBL26663815 0.71 MCL1 (0.54) MCL1GAANPC1MEN1KMT2A
SCHEMBL14507412 0.69 DAO (0.41) MEN1KMT2ALMNAALDH1A1HTR2C
SCHEMBL4551171 0.68 BRD4 (0.45) MCL1GAAHTTALDH1A1HPGD
SCHEMBL9925990 0.66 KDM4E (0.67) MCL1GAANPC1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101370811-A Imidazopyrazine compounds as protein kinase inhibitors SCHERING CORP (US) 2009-02-18 CN disclosed
EP-1945644-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-07-23 EP disclosed
EP-1945216-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2008-07-23 EP disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 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 (2 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-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A MCL1 756/4885GAA 2693/4885NPC1 3810/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 MCL1 153/4885GAA 2273/4885NPC1 2503/4885

“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.