Sugi Predict

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SCHEMBL3581129

SCHEMBL3581129

CC(C(=O)O)C(=O)Nc1ccc(Nc2ncc3cnn(-c4cccc5ccccc45)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 7/20 0.39
▸ CCND1 P24385 7/20 0.39
▸ CCND2 P30279 6/20 0.39
▸ CCND3 P30281 6/20 0.39
▸ PDE9A O76083 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GSK3A P49840 4/20 0.38
▸ GSK3B P49841 4/20 0.38
▸ EGFR P00533 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ WEE1 P30291 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36

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
SCHEMBL3589735 0.83 GSK3B (0.53) GSK3AGSK3BEGFRAURKAPOLB
SCHEMBL3581123 0.81 CDK4 (0.44) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL3591261 0.81 GSK3A (0.39) CDK4CCND1CCND2CCND3MAPT
SCHEMBL3588642 0.80 JAK1 (0.41) MAPTALDH1A1NPC1POLBHPGD
SCHEMBL3583178 0.79 SRC (0.42) CDK4CCND1CCND2CCND3MEN1
SCHEMBL1355579 0.79 EIF2AK4 (0.56) CDK4CCND1CCND2CCND3PDE9A
SCHEMBL3588646 0.78 CDK4 (0.39) CDK4CCND1CCND2CCND3MEN1
SCHEMBL3588854 0.77 PDGFRB (0.47) CDK4CCND1CCND2CCND3MEN1
SCHEMBL3573049 0.76 CDK1 (0.46) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3579319 0.76 GSK3B (0.50) GSK3AGSK3BEGFRAURKA

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-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 — — US claimed
EP-2108019-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-2008094575-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-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 — — US disclosed
EP-2108019-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-2008094575-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 (1 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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B CDK4 102/4885CCND1 210/4885CCND2 329/4885

“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.