SCHEMBL4891575

SCHEMBL4891575

O=C(O)c1nscc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
HTT P42858 1/20 0.47
NOD2 Q9HC29 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CCNA2 P20248 4/20 0.44
CDK2 P24941 4/20 0.44
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
CCNA1 P78396 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4898095 0.85 POLB (0.47) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL4893822 0.84 KMT2A (0.50) MEN1KMT2AHTTLMNAGAA
SCHEMBL4924390 0.83 KMT2A (0.55) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL4934571 0.79 MEN1 (0.50) MEN1KMT2AJAK2TYK2HPGD
SCHEMBL955039 0.74 MEN1 (0.49) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL4902010 0.72 MEN1 (0.50) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL3616663 0.71 SMN1; SMN2 (0.50) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL4933822 0.69 KMT2A (0.57) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL30739749 0.68 JAK2 (0.71) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL695415 0.68 CDK2 (0.58) MEN1KMT2AJAK2JAK1TYK2

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-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
EP-1836199-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 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-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 MEN1 1524/4885KMT2A 458/4885JAK2 302/4885

“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.