SCHEMBL4607774

SCHEMBL4607774

COC(=O)c1cc(C)c(S(=O)(=O)NCC2CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CNR2 P34972 6/20 0.43
CNR1 P21554 4/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL14536744 0.90 KMT2A (0.46) MEN1KMT2ACNR2CNR1MAPT
SCHEMBL14507410 0.79 MCL1 (0.40) MCL1MEN1KMT2ACNR2MAPT
SCHEMBL15881071 0.78 MCL1 (0.53) MCL1MEN1KMT2AMAPTALDH1A1
SCHEMBL2305822 0.76 MCL1 (0.51) MCL1MEN1KMT2AMAPTALDH1A1
SCHEMBL26663815 0.75 MCL1 (0.54) MCL1MEN1KMT2AMAPTALDH1A1
SCHEMBL4415422 0.75 MCL1 (0.44) MCL1TP53ALDH1A1
SCHEMBL2304762 0.74 MCL1 (0.49) MCL1MEN1KMT2AMAPTALDH1A1
SCHEMBL4607766 0.73 MCL1 (0.44) MCL1MEN1KMT2AMAPTALDH1A1
SCHEMBL4551171 0.72 BRD4 (0.45) MCL1TP53ALDH1A1
SCHEMBL14507372 0.66 MAPT (0.43) MEN1KMT2ACNR2CNR1MAPT

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 13 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
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
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US 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
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
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US 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 756/4885MEN1 2085/4885KMT2A 883/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 MCL1 153/4885MEN1 2358/4885KMT2A 892/4885

“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.