SCHEMBL4898095

SCHEMBL4898095

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.45
IL2 P60568 2/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
HTT P42858 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
BRPF1 P55201 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 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
SCHEMBL4891575 0.85 MEN1 (0.49) POLBMEN1KMT2AJAK2JAK1
SCHEMBL4933822 0.84 KMT2A (0.57) POLBMEN1KMT2ARAB9AJAK2
SCHEMBL3587209 0.77 POLB (0.48) POLBMEN1KMT2ARAB9AIL2
SCHEMBL3607746 0.74 KMT2A (0.60) POLBMEN1KMT2ARAB9AHTT
SCHEMBL4477277 0.73 KMT2A (0.71) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL1641773 0.71 IL2 (0.56) POLBMEN1KMT2ARAB9AIL2
SCHEMBL19554514 0.71 KMT2A (0.40) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4893822 0.70 KMT2A (0.50) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL1070351 0.69 CA12 (0.61) POLBMEN1KMT2ARAB9AIL2
SCHEMBL4031637 0.69 RAB9A (0.65) POLBMEN1KMT2ARAB9AIL2

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 POLB 979/4885MEN1 1524/4885KMT2A 458/4885

“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.