SCHEMBL3575913

SCHEMBL3575913

CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(-c4ccc(OCc5ccccc5)c5c4CCCC5)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AURKA O14965 5/20 0.41
CDK1 P06493 5/20 0.41
CCNB1 P14635 5/20 0.41
GLO1 Q04760 2/20 0.40
JAK2 O60674 5/20 0.39
JAK3 P52333 3/20 0.39
DCLK1 O15075 1/20 0.38
PTK2 Q05397 2/20 0.37
FLT3 P36888 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 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
SCHEMBL3586266 0.90 AURKA (0.42) AURKACDK1CCNB1GLO1FLT3
SCHEMBL3587627 0.88 CDK4 (0.35) AURKACDK1JAK2CDK4CCND1
SCHEMBL3580945 0.87 AURKA (0.46) AURKACDK1CCNB1JAK2JAK3
SCHEMBL3580939 0.84 CDK4 (0.53) AURKACDK1CCNB1JAK2JAK3
SCHEMBL3589708 0.83 STAT6 (0.52) AURKACDK1CCNB1JAK2CDK4
SCHEMBL3587865 0.82 AURKA (0.46) AURKACDK1CCNB1JAK2JAK3
SCHEMBL3588130 0.80 AURKA (0.39) AURKACDK1CCNB1JAK2JAK3
SCHEMBL1353795 0.76 DCLK1 (0.52) AURKACDK1CCNB1GLO1DCLK1
SCHEMBL3590038 0.73 PRMT5 (0.46)
SCHEMBL1356282 0.72 FLT3 (0.52) AURKACDK1CCNB1DCLK1FLT3

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 4 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
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 NPC1 2632/4885AR 2377/4885HPGD 2070/4885

“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.