SCHEMBL1353780

SCHEMBL1353780

COc1ccc(-n2ncc3cnc(Nc4ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc4)nc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 4/20 0.60
FLT3 P36888 6/20 0.50
TBK1 Q9UHD2 2/20 0.49
AURKA O14965 6/20 0.48
CDK1 P06493 5/20 0.48
CCNB1 P14635 5/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CCND2 P30279 1/20 0.47
CCND3 P30281 1/20 0.47
FGFR4 P22455 1/20 0.47
EGFR P00533 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1356818 0.92 EIF2AK4 (0.58) EIF2AK4FLT3TBK1AURKACDK1
SCHEMBL1355910 0.89 FGFR4 (0.50) EIF2AK4FLT3AURKACDK1CCNB1
SCHEMBL3862278 0.89 AURKA (0.48) EIF2AK4FLT3AURKACDK1CCNB1
SCHEMBL1356098 0.88 EIF2AK4 (0.62) EIF2AK4FLT3TBK1CDK4CCND1
SCHEMBL1355988 0.88 FLT3 (0.64) EIF2AK4FLT3TBK1AURKACDK1
SCHEMBL1356000 0.85 AURKA (0.44) EIF2AK4FLT3TBK1AURKACDK1
SCHEMBL1356759 0.84 EIF2AK4 (0.61) EIF2AK4FLT3TBK1CDK4CCND1
SCHEMBL1355845 0.83 EIF2AK4 (0.60) EIF2AK4FLT3TBK1AURKACDK4
SCHEMBL1356054 0.83 CDK4 (0.47) EIF2AK4FLT3AURKACDK1CCNB1
SCHEMBL1356007 0.83 EIF2AK4 (0.67) EIF2AK4FLT3TBK1AURKACDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 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 (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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885FLT3 766/4885TBK1 1295/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885FLT3 766/4885TBK1 1295/4885

“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.