SCHEMBL1355282

SCHEMBL1355282

COc1ccc(-n2ncc3cnc(Nc4ccc(OC)c(O)c4)nc32)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.46
PLK1 P53350 3/20 0.46
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
CCND2 P30279 3/20 0.46
CCND3 P30281 3/20 0.46
EIF2AK4 Q9P2K8 2/20 0.46
PIP4K2A P48426 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TBK1 Q9UHD2 2/20 0.43
AURKB Q96GD4 4/20 0.42
PTK2 Q05397 3/20 0.42
CRHR1 P34998 3/20 0.41
AURKA O14965 2/20 0.41
CDC7 O00311 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41

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 0.88 EIF2AK4 (0.54) KDRCDK4CCND1CCND2CCND3
SCHEMBL1355858 0.86 EIF2AK4 (0.61) KDRPLK1CDK4CCND1CCND2
SCHEMBL1355878 0.84 EIF2AK4 (0.49) KDRPLK1CDK4CCND1CCND2
SCHEMBL1355905 0.82 EIF2AK4 (0.47) KDRCDK4CCND1CCND2CCND3
SCHEMBL1356733 0.82 CHRNA7 (0.47) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1355944 0.81 EIF2AK4 (0.52) KDRPLK1CDK4CCND1CCND2
SCHEMBL1356282 0.81 FLT3 (0.52) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL3582215 0.81 CDK4 (0.46) KDRPLK1CDK4CCND1CCND2
SCHEMBL1355866 0.80 CDK4 (0.47) KDRPLK1CDK4CCND1CCND2
SCHEMBL1356000 0.79 AURKA (0.44) CDK4CCND1CCND2CCND3EIF2AK4

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 KDR 2714/4885PLK1 4/4885CDK4 101/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 KDR 2714/4885PLK1 4/4885CDK4 101/4885

“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.