SCHEMBL3591794

SCHEMBL3591794

CCCCn1ncc2cnc(Nc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 17/20 0.48
CCNB1 P14635 17/20 0.48
AURKA O14965 15/20 0.48
CDK4 P11802 4/20 0.45
CCND1 P24385 4/20 0.45
CCND2 P30279 4/20 0.45
CCND3 P30281 4/20 0.45
FGFR4 P22455 3/20 0.45
CCNB2 O95067 2/20 0.45
CCNE2 O96020 2/20 0.45
FGFR1 P11362 2/20 0.45
CCNA2 P20248 2/20 0.45
FGFR2 P21802 2/20 0.45
FGFR3 P22607 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CCNA1 P78396 2/20 0.45
CCNB3 Q8WWL7 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL3584885 0.94 CDK1 (0.50) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3575825 0.91 AURKA (0.53) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3582161 0.90 AURKA (0.55) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3586575 0.89 CDK1 (0.52) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3591861 0.83 AURKA (0.54) CDK1CCNB1AURKACDK4CCND1
SCHEMBL1356054 0.80 CDK4 (0.47) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3587878 0.78 AURKA (0.57) CDK1CCNB1AURKACDK4CCND1
SCHEMBL1355615 0.76 CDK4 (0.58) CDK1CCNB1AURKACDK4CCND1
SCHEMBL1353819 0.75 CDK1 (0.81) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3862278 0.75 AURKA (0.48) CDK1CCNB1AURKACDK4CCND1

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 CDK1 1/4885CCNB1 17/4885AURKA 10/4885

“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.