SCHEMBL4902010

SCHEMBL4902010

O=C(O)c1ncsc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
HTT P42858 1/20 0.48
NOD2 Q9HC29 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
LMNA P02545 1/20 0.44
HSD17B13 Q7Z5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4935840 0.82 KMT2A (0.52) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL2825731 0.79 KDM4E (0.45) KMT2AMAPTALDH1A1LMNAHSD17B13
SCHEMBL4933829 0.79 CNR1 (0.41) MEN1KMT2AMAPTJAK2JAK1
SCHEMBL4932652 0.78 KDM4E (0.51) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL4933825 0.77 CDK2 (0.58)
SCHEMBL2829269 0.75 CSNK2A1 (0.43) LMNAKDM4ENPC1RAB9ATP53
SCHEMBL2826260 0.75 KDM4E (0.55) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL4931435 0.73 ANO1 (0.40) MEN1KMT2AHSD17B13KDM4ENPC1
SCHEMBL4891575 0.72 MEN1 (0.49) MEN1KMT2AMAPTJAK2JAK1
SCHEMBL13398863 0.72 KDM4E (0.60) LMNAKDM4EGAA

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-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

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 458/4885MAPT 613/4885

“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.