SCHEMBL1353795

SCHEMBL1353795

CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(-c4ccccc4-c4ccccc4)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 2/20 0.52
PTK2 Q05397 2/20 0.46
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
AURKA O14965 2/20 0.44
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
CCND2 P30279 3/20 0.43
CCND3 P30281 3/20 0.43
FLT3 P36888 2/20 0.41
GLO1 Q04760 2/20 0.41
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
CCNA2 P20248 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
CCNE1 P24864 1/20 0.40

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
SCHEMBL1355558 0.87 CDK1 (0.48) DCLK1CDK1CCNB1AURKACDK4
SCHEMBL1353745 0.83 AURKA (0.53) AURKA
SCHEMBL1355974 0.81 DCLK1 (0.46) DCLK1PTK2CDK1CCNB1AURKA
SCHEMBL1355286 0.79 CDK4 (0.59) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3586476 0.78 FLT3 (0.48) DCLK1PTK2CDK1CCNB1AURKA
SCHEMBL1355881 0.78 STAT6 (0.57) PTK2CDK1CCNB1AURKACDK4
SCHEMBL1353840 0.77 CDK4 (0.54) CDK4CCND1CCND2CCND3FLT3
SCHEMBL1353817 0.77 CDK4 (0.36) CDK1CCNB1AURKACDK4CCND1
SCHEMBL1355866 0.77 CDK4 (0.47) PTK2AURKACDK4CCND1CCND2
SCHEMBL3587865 0.77 AURKA (0.46) DCLK1PTK2CDK1CCNB1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US 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 (2 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 DCLK1 452/4885PTK2 194/4885CDK1 3/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 DCLK1 452/4885PTK2 194/4885CDK1 3/4885

“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.