SCHEMBL1355944

SCHEMBL1355944

COc1ccc(Nc2ncc3cnn(-c4ccc(O)cc4)c3n2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.52
CDK4 P11802 3/20 0.49
CCND1 P24385 3/20 0.49
CCND2 P30279 3/20 0.49
CCND3 P30281 3/20 0.49
TBK1 Q9UHD2 2/20 0.48
AURKB Q96GD4 4/20 0.44
AURKA O14965 3/20 0.44
JAK3 P52333 2/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
CDC7 O00311 1/20 0.44
PKMYT1 Q99640 1/20 0.43
PTK2 Q05397 5/20 0.43
KDR P35968 4/20 0.43
PLK1 P53350 3/20 0.43
INSR P06213 1/20 0.42
MAPT P10636 2/20 0.41
FLT3 P36888 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL1355858 0.93 EIF2AK4 (0.61) EIF2AK4CDK4CCND1CCND2CCND3
SCHEMBL1355130 0.92 EIF2AK4 (0.50) EIF2AK4CDK4CCND1CCND2CCND3
SCHEMBL1355227 0.89 CDK4 (0.47) EIF2AK4CDK4CCND1CCND2CCND3
SCHEMBL1355878 0.87 EIF2AK4 (0.49) EIF2AK4CDK4CCND1CCND2CCND3
SCHEMBL1355821 0.85 EIF2AK4 (0.62) EIF2AK4CDK4CCND1CCND2CCND3
SCHEMBL1356007 0.84 EIF2AK4 (0.67) EIF2AK4CDK4CCND1CCND2CCND3
SCHEMBL1356682 0.84 EIF2AK4 (0.61) EIF2AK4CDK4CCND1CCND2CCND3
SCHEMBL1355771 0.83 EIF2AK4 (0.64) EIF2AK4CDK4CCND1CCND2CCND3
SCHEMBL1353796 0.82 EIF2AK4 (0.53) EIF2AK4CDK4CCND1CCND2CCND3
SCHEMBL1355282 0.81 KDR (0.46) EIF2AK4CDK4CCND1CCND2CCND3

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 6 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

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 791/4885CDK4 101/4885CCND1 160/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885CDK4 101/4885CCND1 160/4885

“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.