SCHEMBL1355905

SCHEMBL1355905

COc1ccc(-n2ncc3cnc(Nc4ccc(SC)cc4)nc32)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
PIP4K2A P48426 1/20 0.47
PTK2 Q05397 2/20 0.44
CRHR1 P34998 4/20 0.42
CDK4 P11802 2/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TBK1 Q9UHD2 2/20 0.41
CLK4 Q9HAZ1 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL1355941 0.92 EIF2AK4 (0.54) EIF2AK4LMNAMAPTPIP4K2APTK2
SCHEMBL1356733 0.85 CHRNA7 (0.47) EIF2AK4LMNAMAPTPIP4K2ACRHR1
SCHEMBL1356282 0.84 FLT3 (0.52) EIF2AK4LMNAMAPTPIP4K2ACRHR1
SCHEMBL1356855 0.84 EIF2AK4 (0.64) EIF2AK4PTK2CDK4CCND1CCND2
SCHEMBL1356000 0.83 AURKA (0.44) EIF2AK4LMNAMAPTPIP4K2ACRHR1
SCHEMBL1355282 0.82 KDR (0.46) EIF2AK4LMNAMAPTPIP4K2APTK2
SCHEMBL1355810 0.82 CDK4 (0.60) CDK4CCND1CCND2CCND3TBK1
SCHEMBL1355729 0.79 FGFR4 (0.50) EIF2AK4MAPTCDK4EGFRBRD4
SCHEMBL1356019 0.71 EIF2AK4 (0.61) EIF2AK4MAPTPIP4K2APTK2CDK4
SCHEMBL1356186 0.71 EIF2AK4 (0.67) EIF2AK4PTK2CDK4CCND1CCND2

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 791/4885LMNA 1636/4885MAPT 733/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885LMNA 1636/4885MAPT 733/4885

“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.