SCHEMBL3587865

SCHEMBL3587865

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.46
CDK1 P06493 7/20 0.46
CCNB1 P14635 7/20 0.46
JAK2 O60674 6/20 0.40
JAK3 P52333 4/20 0.40
FLT3 P36888 2/20 0.40
DCLK1 O15075 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
PTK2 Q05397 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
SCHEMBL3587869 0.88 CDK1 (0.47) AURKACDK1CCNB1JAK2CDK2
SCHEMBL3580945 0.86 AURKA (0.46) AURKACDK1CCNB1JAK2JAK3
SCHEMBL3591405 0.85 SYK (0.38) AURKACDK1CCNB1JAK3FLT3
SCHEMBL3575913 0.82 NPC1 (0.41) AURKACDK1CCNB1JAK2JAK3
SCHEMBL3579094 0.81 CDK4 (0.50) AURKACDK1CCNB1JAK2JAK3
SCHEMBL3583463 0.80 CDK4 (0.52) AURKACDK1CCNB1JAK2JAK3
SCHEMBL3588130 0.77 AURKA (0.39) AURKACDK1CCNB1JAK2JAK3
SCHEMBL1353795 0.77 DCLK1 (0.52) AURKACDK1CCNB1FLT3DCLK1
SCHEMBL1356282 0.76 FLT3 (0.52) AURKACDK1CCNB1FLT3DCLK1
SCHEMBL1355460 0.73 MARK3 (0.52) AURKACDK1CCNB1JAK2JAK3

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

“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.