SCHEMBL1356098

SCHEMBL1356098

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 3/20 0.62
▸ JAK2 O60674 3/20 0.53
▸ JAK3 P52333 3/20 0.53
▸ PTK2 Q05397 3/20 0.53
▸ FGFR4 P22455 1/20 0.52
▸ FLT3 P36888 4/20 0.52
▸ TBK1 Q9UHD2 1/20 0.50
▸ CDK4 P11802 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ CCND2 P30279 1/20 0.48
▸ CCND3 P30281 1/20 0.48
▸ RIPK2 O43353 2/20 0.48
▸ EGFR P00533 1/20 0.47
▸ PTGS2 P35354 3/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL1355988 0.89 FLT3 (0.64) EIF2AK4JAK2JAK3PTK2FGFR4
SCHEMBL1353780 0.88 EIF2AK4 (0.60) EIF2AK4JAK2JAK3PTK2FGFR4
SCHEMBL1356818 0.86 EIF2AK4 (0.58) EIF2AK4PTK2FGFR4FLT3TBK1
SCHEMBL1355845 0.85 EIF2AK4 (0.60) EIF2AK4JAK2JAK3PTK2FGFR4
SCHEMBL1356186 0.84 EIF2AK4 (0.67) EIF2AK4JAK2JAK3PTK2FLT3
SCHEMBL1356007 0.84 EIF2AK4 (0.67) EIF2AK4JAK2JAK3PTK2FLT3
SCHEMBL31299872 0.84 EIF2AK4 (0.46) EIF2AK4JAK2JAK3PTK2CDK4
SCHEMBL1355679 0.84 FGFR4 (0.56) EIF2AK4JAK2JAK3FGFR4FLT3
SCHEMBL1355646 0.83 FLT3 (0.64) EIF2AK4FLT3TBK1CDK4CCND1
SCHEMBL1654524 0.83 PTK2 (0.64) EIF2AK4JAK2JAK3PTK2FGFR4

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 791/4885JAK2 1365/4885JAK3 789/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885JAK2 1365/4885JAK3 789/4885

“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.

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