SCHEMBL1355227

SCHEMBL1355227

COc1ccc(Nc2ncc3cnn(-c4cccc(O)c4)c3n2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.47
▸ CCND1 P24385 2/20 0.47
▸ CCND2 P30279 2/20 0.47
▸ CCND3 P30281 2/20 0.47
▸ EIF2AK4 Q9P2K8 1/20 0.45
▸ AURKB Q96GD4 3/20 0.44
▸ AURKA O14965 2/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ PTK2 Q05397 6/20 0.43
▸ KDR P35968 2/20 0.43
▸ PLK1 P53350 2/20 0.43
▸ SYK P43405 2/20 0.43
▸ INSR P06213 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL1355878 0.92 EIF2AK4 (0.49) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1355944 0.89 EIF2AK4 (0.52) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1355858 0.86 EIF2AK4 (0.61) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1355130 0.85 EIF2AK4 (0.50) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1355283 0.85 EIF2AK4 (0.52) CDK4EIF2AK4AURKAKDM4EMAPT
SCHEMBL1353652 0.84 CDK4 (0.54) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1356097 0.82 MAPT (0.52) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL3582215 0.82 CDK4 (0.46) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1356726 0.81 RPS6KA3 (0.45) EIF2AK4PLK1SYKRPS6KA3EGFR
SCHEMBL1353618 0.81 EIF2AK4 (0.62) EIF2AK4AURKBAURKAKDM4EMAPT

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 7 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
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 CDK4 101/4885CCND1 160/4885CCND2 219/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885CCND2 219/4885

“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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