SCHEMBL17352249

SCHEMBL17352249

COc1ccccc1-c1cc(Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)ncn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 15/20 0.62
CCNT1 O60563 14/20 0.62
CYP1A2 P05177 2/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
CYP2D6 P10635 1/20 0.60
ALOX15 P16050 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
MAP4K4 O95819 2/20 0.58
CDK1 P06493 2/20 0.58
CDK4 P11802 2/20 0.58
CCNB1 P14635 2/20 0.58
CCND1 P24385 2/20 0.58
ABL2 P42684 2/20 0.58
GSK3A P49840 2/20 0.58
CDK7 P50613 2/20 0.58
CCNH P51946 2/20 0.58

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
SCHEMBL4098710 0.86 CDK9 (0.64) CDK9CCNT1CYP1A2USP2ALDH1A1
SCHEMBL4103869 0.86 CDK9 (0.82) CDK9CCNT1CYP1A2USP2ALDH1A1
SCHEMBL4101912 0.86 CDK9 (0.67) CDK9CCNT1CYP1A2USP2ALDH1A1
SCHEMBL4104620 0.85 USP2 (0.68) CDK9CCNT1CYP1A2USP2ALDH1A1
SCHEMBL4103782 0.84 CDK9 (0.62) CDK9CCNT1CYP1A2USP2ALDH1A1
SCHEMBL4104610 0.84 USP2 (0.69) CDK9CCNT1CYP1A2USP2ALDH1A1
SCHEMBL4101901 0.84 CDK9 (0.61) CDK9CCNT1CYP1A2USP2ALDH1A1
SCHEMBL4098113 0.83 USP2 (0.63) CDK9CCNT1CYP1A2USP2ALDH1A1
SCHEMBL4109370 0.82 CYP1A2 (0.62) CDK9CCNT1CYP1A2USP2ALDH1A1
SCHEMBL4109311 0.82 USP2 (0.61) CDK9CCNT1CYP1A2USP2ALDH1A1

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-20150368209-A1 4-Pyrimidinylamino-benzenesulfonamide derivatives and their use for the inhibition of polo-like kinase 1 (PLK1) for the treatment of cancer and their use for the treatment of bacterial infections ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2015-12-24 US disclosed
US-20150368209-A1 4-Pyrimidinylamino-benzenesulfonamide derivatives and their use for the inhibition of polo-like kinase 1 (PLK1) for the treatment of cancer and their use for the treatment of bacterial infections ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2015-12-24 US disclosed
US-20150368209-A1 4-Pyrimidinylamino-benzenesulfonamide derivatives and their use for the inhibition of polo-like kinase 1 (PLK1) for the treatment of cancer and their use for the treatment of bacterial infections ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2015-12-24 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 (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-20150368209-A1 4-Pyrimidinylamino-benzenesulfonamide derivatives and their use for the inhibition of polo-like kinase 1 (PLK1) for the treatment of cancer and their use for the treatment of bacterial infections PLK1, PLK2, PLK4 CDK9 83/4885CCNT1 523/4885CYP1A2 3704/4885

“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.