SCHEMBL3591405

SCHEMBL3591405

Nc1ccc(Nc2ncc3cnn(-c4ccc(O)c5c4CCCC5)c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
CCND2 P30279 2/20 0.35
CCND3 P30281 2/20 0.35
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPK14 Q16539 1/20 0.35
FLT3 P36888 5/20 0.35
AURKA O14965 5/20 0.34
CDK1 P06493 6/20 0.34
CCNB1 P14635 6/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
EGFR P00533 1/20 0.34
JAK3 P52333 1/20 0.34
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33

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
SCHEMBL3587865 0.85 AURKA (0.46) CDK4CCND1CCND2CCND3FLT3
SCHEMBL3583463 0.84 CDK4 (0.52) SYKCDK4CCND1CCND2CCND3
SCHEMBL3579094 0.84 CDK4 (0.50) CDK4CCND1CCND2CCND3ABL1
SCHEMBL3587869 0.83 CDK1 (0.47) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3587627 0.80 CDK4 (0.35) SYKCDK4CCND1CCND2CCND3
SCHEMBL1353936 0.75 AURKA (0.49) SYKCDK4CCND1CCND2CCND3
SCHEMBL3583178 0.73 SRC (0.42) SYKCDK4CCND1CCND2CCND3
SCHEMBL1356726 0.72 RPS6KA3 (0.45) SYKABL1PDGFRBKITSRC
SCHEMBL3580945 0.71 AURKA (0.46) FLT3AURKACDK1CCNB1JAK3
SCHEMBL1355396 0.71 AURKB (0.49) SYKABL1PDGFRBKITSRC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SYK 1222/4885CDK4 102/4885CCND1 210/4885

“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.